762	762	769	0:SP2_SP2_SP2	C[6]	C[6]	C[4a]	3:3:3:	3:2:2:	3:3:3:	C[4a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[4a]-3:C[4a]-3:C[6]-3:	C[6](C[4a]C[4a]2)(C[6]C[6]O)2	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH)	C[4a](C[4a]C[4a]O)2(C[6]C[6]2)	C[6](C[4a]C[4a]2)(C[6]C[6]O)2{1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH){1|N<3>,1|O<2>,3|C<3>}	C[4a](C[4a]C[4a]O)2(C[6]C[6]2){1|C<2>,2|C<3>,2|O<2>}	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	121.8720	1.479	2	121.8720	1.479	2
762	762	769	0:SP2_SP2_SP2	C[6]	C[6]	C[4a]	3:3:3:	3:3:2:	3:3:3:	C[4a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[4a]-3:C[4a]-3:C[6]-3:	C[6](C[4a]C[4a]2)(C[6]C[6]O)2	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH)	C[4a](C[4a]C[4a]O)2(C[6]C[6]2)	C[6](C[4a]C[4a]2)(C[6]C[6]O)2{1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[4a](C[4a]C[4a]O)2(C[6]C[6]2){1|C<2>,2|C<3>,2|O<2>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.8720	1.479	2	121.8720	1.479	2
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	B(C[6]C[6]2)(O)2	121.4913	1.828	4	121.4913	3.340	4	121.4913	3.340	4	121.4913	3.340	4	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	B(C[6]C[6]2)(OH)(O)	121.3187	1.566	4	121.3187	2.454	4	121.3187	2.454	4	121.3187	2.454	4	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H){1|N<3>,2|C<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	121.8230	0.000	1	123.2080	2.230	14	121.9492	2.707	51	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	123.3145	1.498	13	123.2080	2.230	14	121.9492	2.707	51	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	121.2943	1.313	27	121.4729	2.105	37	121.9492	2.707	51	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	B(C[6]C[6]2)(OH)2	121.9070	0.687	2	121.4729	2.105	37	121.9492	2.707	51	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	B(C[6]C[6]2)(OH)2	121.9674	1.975	8	121.4729	2.105	37	121.9492	2.707	51	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(N[6]C[6]C)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	120.6220	0.000	1	120.6220	0.000	1	120.0274	2.558	14	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	B(C[6]C[6]2)(OH)2	119.9816	1.655	13	119.9816	2.739	13	120.0274	2.558	14	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:B-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO)	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H)	B(C[6]C[6]2)(OH)2	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	B(C[6]C[6]2)(OH)2	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	121.5403	3.172	67	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	122.4720	0.000	1	123.5795	2.453	2	123.7513	1.684	6	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	124.6870	0.000	1	123.5795	2.453	2	123.7513	1.684	6	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(BC[6a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	123.3560	0.400	2	123.3560	0.160	2	123.7513	1.684	6	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	124.3185	2.188	2	124.3185	4.790	2	123.7513	1.684	6	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	N[5,6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]B)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]B)(H){1|H<1>,5|C<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	119.4195	1.213	2	119.4195	1.471	2	119.4195	1.471	2	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](N[6]C[6]Ir)(C[6]C[6]B)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	120.7830	0.000	1	120.7830	0.000	1	119.9795	1.291	2	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](N[6]C[6]Pt)(C[6]C[6]B)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	B(C[6a]C[6a]2)2(C[6]C[6]2)	119.1760	0.000	1	119.1760	0.000	1	119.9795	1.291	2	122.1306	5.655	10	121.5650	3.395	86	121.5650	3.395	86
762	762	770	0:SP2_SP2_SP2	C[6]	C[6]	B	4:3:3:	3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H)	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	B(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	121.5650	3.395	86	121.5650	3.395	86
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:5:5:3:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:C[6]-3:	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6])	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6]){1|B<6>,2|C<3>,8|H<1>}	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	123.5940	2.416	2	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,3x5,12x6]	5:3:3:	3:3:1:	6:6:6:5:3:	C[3x3,3x5,12x6]-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:C[6]-3:	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2IrH)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6])	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|H<2>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<5>,1|H<1>,3|B<6>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2IrH)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6]N[6]){1|B<6>,1|H<2>,2|C<3>,6|H<1>}	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	123.5940	2.416	2	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	121.6795	0.687	2	121.6795	0.471	2	121.5969	1.270	7	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,3|C<3>,7|H<1>}	122.6320	0.000	1	122.6320	0.000	1	121.5969	1.270	7	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,1|C<4>,2|C<3>,7|H<1>}	121.5770	0.419	2	120.8520	1.664	3	121.5969	1.270	7	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,3|C<3>,7|H<1>}	119.4020	0.000	1	120.8520	1.664	3	121.5969	1.270	7	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H){1|B<4>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,1|C<3>,1|C<4>,1|N<3>,7|H<1>}	122.6310	0.000	1	122.6310	0.000	1	121.5969	1.270	7	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:N[5,6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(N[5,6]C[5,6]B[5])(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H){1|B<4>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(N[5,6]C[5,6]B[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]2){1|B<6>,1|C<3>,1|C<4>,1|N<3>,7|H<1>}	120.2350	0.000	1	120.2350	0.000	1	120.2350	0.000	1	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	0:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]N[6])	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(C[6]C[6]N[6]){1|Ir<6>,1|B<6>,2|C<3>,6|H<1>}	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	121.0606	2.361	9	121.0606	2.361	9	121.5212	3.181	11
762	762	778	6:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,15x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6a]C[6])	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<5>,5|B<6>,5|H<1>,6|C<3>}	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,4|B<6>,7|C<3>}	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6a]C[6]){1|B<6>,1|C<4>,5|C<3>,5|H<1>}	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	120.8335	0.039	4	120.8335	0.039	4
762	762	778	6:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,15x6]	5:3:4:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH){1|C<5>,3|H<1>,4|C<3>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|B<6>,4|C<3>}	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C){1|B<6>,2|C<3>,2|C<4>,5|H<1>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	120.8335	0.039	4	120.8335	0.039	4
762	762	778	6:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,15x6]	5:3:4:	3:3:4:	6:6:6:6:3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C){1|B<6>,1|C<3>,3|C<4>,5|H<1>}	120.8760	0.000	1	120.7915	0.014	2	120.7915	0.014	2	120.7915	0.014	2	120.8335	0.039	4	120.8335	0.039	4
762	762	778	6:SP2_SP2_SPD5	C[6]	C[6]	C[3x3,4,3x5,15x6]	5:3:4:	3:3:4:	6:6:6:6:3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,22x6]-6:B[4x3,4,5x5,21x6]-6:C[6]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	C[3x3,4,3x5,15x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[6])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[6]C[6]C){1|Si<4>,1|B<6>,1|C<3>,2|C<4>,5|H<1>}	120.7070	0.000	1	120.7915	0.014	2	120.7915	0.014	2	120.7915	0.014	2	120.8335	0.039	4	120.8335	0.039	4
762	762	786	0:SP2_SP2_SP3	C[6]	C[6]	B[5]	4:3:3:	3:3:1:	3:2:2:4:	B[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[5]-2:O[5]-2:N-4:	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H)	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV)	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>,1|V<7>,2|O<2>}	B[5](C[6]C[6]N[6])(O[5]C[5])2(NHNV){1|H<1>,2|C<3>,4|C<4>}	125.0970	0.000	1	125.0970	0.000	1	125.0970	0.000	1	125.0970	0.000	1	125.0970	0.000	1	125.0970	0.000	1
762	762	786	6:SP2_SP2_SP3	C[6]	C[6]	B[5,6]	4:3:3:	3:3:4:	3:3:3:3:	B[5,6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6](B[5,6]C[5,6]C[6a]N[5])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]C[6a])(SiC3)	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O)	C[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>}	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>}	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O){1|Si<4>,2|F<1>,9|C<3>}	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,2|H<1>,4|C<4>}	Cl(C[6,6]C[3x6]C[6,6])	123.6415	0.012	2	123.6415	0.000	2	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,3|C<4>,3|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	123.6548	0.283	6	123.6548	0.080	6	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Cl(C[6,6]C[3x6]C[6,6])	123.8113	0.263	3	123.7098	0.090	12	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Cl(C[6,6]C[3x6]C[6,6])	123.5950	0.436	3	123.7098	0.090	12	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	Cl(C[6,6]C[3x6]C[6,6])	123.9663	0.042	3	123.7098	0.090	12	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	123.4667	0.109	3	123.7098	0.090	12	123.6865	0.074	20	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3,6,6]N[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Cl(C[6,6]C[3x6]C[6,6])	125.6100	0.000	1	125.6100	0.000	1	124.5340	2.316	2	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Cl){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	Cl(C[6,6]C[3x6]C[6,6])	123.4580	0.000	1	123.4580	0.000	1	124.5340	2.316	2	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Cl-1:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	Cl(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	Cl(C[6,6]C[3x6]C[6,6])	123.7150	0.363	2	123.7150	0.132	2	123.7150	0.132	2	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Cl	4:3:1:	4:3:1:	3:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[3x6]-4:C[6,6]-3:Cl-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl)	Cl(C[6,6]C[5,3x6]C[6,6])	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]Cl)(C[6,6]C[5,3x6]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	Cl(C[6,6]C[5,3x6]C[6,6])	125.1710	0.409	2	125.1710	0.167	2	125.1710	0.167	2	123.8681	0.360	26	123.8681	0.360	26	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	3:3:2:	3:	C[6,6]-3:C[6]-3:Cl-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl)	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	Cl(C[6]C[6,6]C[6])	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	Cl(C[6]C[6,6]C[6])	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	Cl(C[6]C[6,6]C[6])	116.7550	0.000	1	116.7550	0.000	1	119.5986	3.386	5	121.2496	3.168	13	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	Cl(C[6]C[6,6]C[6])	120.8940	0.000	1	120.3095	1.145	4	119.5986	3.386	5	121.2496	3.168	13	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	Cl(C[6]C[6,6]C[6])	120.1147	1.221	3	120.3095	1.145	4	119.5986	3.386	5	121.2496	3.168	13	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	Cl(C[6]C[6,6]C[6])	122.2815	0.576	8	122.2815	0.332	8	122.2815	0.332	8	121.2496	3.168	13	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Cl	3:3:1:	4:4:3:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	Cl(C[6]C[6,6]C[6])	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	120.7845	4.855	16	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:2:2:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-2:O-2:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(OC)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Cl){1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6])(OC){1|C<2>}	Cl(C[6]C[6]2)	118.9480	0.164	2	118.9480	0.027	2	118.9480	0.027	2	118.9480	0.027	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	Cl(C[6]C[6]2)	119.2977	0.694	3	119.3288	0.212	6	119.3288	0.212	6	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	Cl(C[6]C[6]2)	119.5860	0.000	1	119.3288	0.212	6	119.3288	0.212	6	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	Cl(C[6]C[6]2)	119.1610	0.000	1	119.3288	0.212	6	119.3288	0.212	6	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){2|C<3>}	Cl(C[6]C[6]2)	119.3330	0.000	1	119.3288	0.212	6	119.3288	0.212	6	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	Cl(C[6]C[6]N[6])	120.2337	0.502	3	119.8315	0.398	13	119.8315	0.398	13	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	Cl(C[6]C[6]N[6])	119.5527	0.416	9	119.8315	0.398	13	119.8315	0.398	13	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,3|C<3>}	Cl(C[6]C[6]N[6])	121.1350	0.000	1	119.8315	0.398	13	119.8315	0.398	13	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>}	Cl(C[6]C[6]N[6])	120.2690	0.051	2	120.2690	0.003	2	120.2690	0.003	2	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]C[5]N[6])(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]N[6]Cl)(H){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	Cl(C[6]C[6]N[6])	118.6460	0.000	1	118.6460	0.000	1	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|H<1>,2|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,2|C<3>}	Cl(C[6]C[6]N[6])	118.9650	0.000	1	118.9650	0.000	1	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<1>,2|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.5810	0.000	1	118.8984	0.100	8	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.9245	0.343	4	118.8984	0.100	8	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>}	Cl(C[6]C[6]N[6])	119.1375	0.243	2	118.8984	0.100	8	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>}	Cl(C[6]C[6]N[6])	118.6330	0.000	1	118.8984	0.100	8	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H){1|C<3>}	Cl(C[6]C[6]N[6])	119.6000	0.000	1	119.1507	0.185	3	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.9260	0.259	2	119.1507	0.185	3	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Pd<4>,1|N<3>}	Cl(C[6]C[6]N[6])	119.1980	0.000	1	119.4675	0.145	2	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){2|N<3>}	Cl(C[6]C[6]N[6])	119.7370	0.000	1	119.4675	0.145	2	119.0123	0.138	15	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]Co)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(N[6]C[6]Co)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.0270	0.000	1	119.0270	0.000	1	118.9656	0.278	16	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]Fe)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(N[6]C[6]Fe)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.7340	0.000	1	118.7340	0.000	1	118.9656	0.278	16	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]Ni)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.0830	0.000	1	119.0830	0.000	1	118.9656	0.278	16	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.1620	0.000	1	118.1620	0.000	1	118.9656	0.278	16	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]Zn)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]N[6]Cl)(N[6]C[6]Zn)(H){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.0370	0.556	12	119.0370	0.309	12	118.9656	0.278	16	119.2876	0.402	52	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:2:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(Cl){1|Fe<6>,1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]Fe)(CN){1|C<2>}	Cl(C[6]C[6]2)	119.9020	0.000	1	119.9020	0.000	1	119.9020	0.000	1	118.0573	4.614	3	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:2:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]N)(N[6]S[6])(Cl)	C[6](C[6]N[6]Cl)2(NC[6a])	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]S[6])(Cl){1|Cl<1>,1|N<2>}	C[6](C[6]N[6]Cl)2(NC[6a]){1|S<2>}	Cl(C[6]C[6]N[6])	117.1350	2.031	2	117.1350	4.124	2	117.1350	4.124	2	118.0573	4.614	3	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	Cl(C[6]C[6]2)	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	119.9910	1.345	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:3:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	Cl(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	119.9910	1.345	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:4:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.6770	0.460	2	119.6770	0.211	2	119.4620	0.192	4	119.4620	0.192	4	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:2:1:	3:3:4:	3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.2470	0.426	2	119.2470	0.181	2	119.4620	0.192	4	119.4620	0.192	4	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	121.8940	0.000	1	119.9980	2.779	3	119.9980	2.779	3	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]2)	119.3380	0.000	1	119.9980	2.779	3	119.9980	2.779	3	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6]C[6]2)	118.7620	0.000	1	119.9980	2.779	3	119.9980	2.779	3	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl)	Cl(C[6]C[6]2)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	122.7810	0.419	2	122.7810	0.175	2	122.7810	0.175	2	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	120.7640	0.000	1	120.7085	0.006	2	120.7085	0.006	2	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6]H)2(Cl){1|Ru<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	120.6530	0.000	1	120.7085	0.006	2	120.7085	0.006	2	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.2980	0.402	2	118.2980	0.161	2	118.2980	0.161	2	120.3966	3.344	9	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH)	Cl(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH){1|N<3>,2|C<4>}	Cl(C[6]C[6]2)	119.2415	0.462	2	119.2415	0.213	2	119.2415	0.213	2	119.2415	0.213	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:2:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3)	Cl(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	Cl(C[6]C[6]2)	122.2985	0.286	2	122.2985	0.082	2	122.2985	0.082	2	122.2985	0.082	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|Cl<1>,1|Re<6>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H){1|H<1>,2|N<3>}	Cl(C[6]C[5,6]C[6])	121.1410	0.000	1	121.1410	0.000	1	121.4515	0.193	2	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[5,6]C[6])	121.7620	0.000	1	121.7620	0.000	1	121.4515	0.193	2	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[5,6]C[6])	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6,6]C[6])	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	Cl(C[6]C[6,6a]C[6])	119.2550	0.000	1	119.2550	0.000	1	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]C[6a]N[6])(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]C[6a]N[6])(H){1|Ir<8>,4|C<3>}	Cl(C[6]C[6,6a]C[6])	118.2100	0.000	1	118.2100	0.000	1	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	Cl(C[6]C[6,6a]C[6])	119.7755	0.480	2	117.9098	4.247	5	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	Cl(C[6]C[6,6a]C[6])	118.4650	0.000	1	117.9098	4.247	5	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	Cl(C[6]C[6,6a]C[6])	115.7665	0.547	2	117.9098	4.247	5	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	Cl(C[6]C[6,6a]C[6])	120.0405	1.061	6	120.0405	1.126	6	119.0198	2.978	13	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2)	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|C<4>,1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	113.4110	0.296	2	113.4110	0.087	2	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	115.6705	0.056	2	115.8107	0.032	4	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|O<2>,3|C<3>}	Cl(C[6]C[6]2)	115.9510	0.115	2	115.8107	0.032	4	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6]C[6]2)	116.1950	0.000	1	116.1950	0.000	1	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<2>,3|C<3>}	Cl(C[6]C[6]2)	115.0800	0.000	1	114.5401	0.917	15	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6]C[6]2)	114.5015	0.982	14	114.5401	0.917	15	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6]C[6]2)	112.3030	0.000	1	112.3030	0.000	1	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	Cl(C[6]C[6]2)	114.1900	0.885	2	114.1900	0.784	2	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	Cl(C[6]C[6]2)	119.3250	0.082	2	119.3250	0.007	2	114.9516	2.770	27	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	Cl(C[6]C[6]2)	122.0135	1.036	2	122.0135	1.073	2	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	Cl(C[6]C[6]2)	117.3260	0.000	1	117.9060	0.673	2	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]2)	118.4860	0.000	1	117.9060	0.673	2	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.9402	0.319	4	121.9402	0.102	4	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	120.5195	2.747	2	120.6310	4.410	4	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.7425	2.374	2	120.6310	4.410	4	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.6967	0.370	4	120.6967	0.137	4	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.7032	0.153	4	120.7032	0.023	4	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.7410	1.329	2	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	Cl(C[6]C[6]2)	122.1105	0.276	2	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	Cl(C[6]C[6]2)	122.1250	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	122.0270	0.634	26	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	121.1117	1.065	3	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	Cl(C[6]C[6]2)	121.6270	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.5220	0.336	3	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	Cl(C[6]C[6]2)	121.5810	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	122.7035	0.023	2	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	123.9280	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	123.3650	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	123.5200	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	Cl(C[6]C[6]2)	122.6225	0.265	4	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	Cl(C[6]C[6]2)	120.0830	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	123.4670	1.245	2	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	Cl(C[6]C[6]2)	121.4010	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6]C[6]2)	122.4130	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	Cl(C[6]C[6]2)	122.6010	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	Cl(C[6]C[6]2)	123.0040	0.351	2	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	122.3097	0.700	141	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	122.5560	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	122.4800	0.000	1	122.2387	0.613	199	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	122.6107	0.511	27	121.5131	1.729	49	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	120.9030	0.000	1	121.5131	1.729	49	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.2460	0.000	1	121.5131	1.729	49	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.1252	0.408	20	121.5131	1.729	49	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|N<3>}	Cl(C[6]C[6]2)	120.5570	0.448	2	120.5570	0.201	2	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.4655	0.255	2	121.3955	0.052	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.5060	0.151	4	121.3955	0.052	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.1045	0.022	2	121.3955	0.052	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.6041	0.484	30	120.3654	0.284	52	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	120.6160	0.000	1	120.3654	0.284	52	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	120.0210	0.416	20	120.3654	0.284	52	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	119.8400	0.000	1	120.3654	0.284	52	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.7865	0.025	2	120.7865	0.001	2	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	Cl(C[6]C[6]2)	121.2665	0.243	2	121.2999	0.021	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	Cl(C[6]C[6]2)	121.3585	0.143	4	121.2999	0.021	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	Cl(C[6]C[6]2)	121.2160	0.006	2	121.2999	0.021	8	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	117.6061	0.533	29	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	120.1870	0.000	1	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	119.6480	0.289	20	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.4170	0.000	1	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	Cl(C[6]C[6]2)	119.8930	0.010	2	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.5466	0.338	20	119.1077	1.784	73	121.2433	2.350	413	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	120.2020	0.000	1	120.2020	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	Cl(C[6]C[6]2)	118.8560	0.066	2	118.8560	0.004	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	115.4548	0.578	4	115.4548	0.334	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.2555	2.751	2	120.2555	7.570	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.5180	0.017	2	118.5180	0.000	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	117.8982	0.170	4	117.8982	0.029	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.3789	0.576	16	120.3789	0.332	16	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	117.7340	0.305	4	117.7340	0.093	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	118.2180	0.000	1	119.7270	4.554	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	121.2360	0.000	1	119.7270	4.554	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	121.7980	0.000	1	121.7980	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.4336	0.629	8	119.4336	0.396	8	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	117.3630	0.000	1	118.7400	0.742	13	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	118.6395	0.405	2	118.7400	0.742	13	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.4090	0.000	1	118.7400	0.742	13	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.3888	0.334	6	118.7400	0.742	13	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	117.7453	0.400	3	118.7400	0.742	13	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	Cl(C[6]C[6]2)	117.6960	0.000	1	117.6960	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	Cl(C[6]C[6]2)	117.3895	1.006	2	117.5348	0.253	6	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	Cl(C[6]C[6]2)	117.7760	0.253	2	117.5348	0.253	6	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	Cl(C[6]C[6]2)	117.4390	0.100	2	117.5348	0.253	6	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.4970	0.000	1	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.2530	0.399	3	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	120.5553	0.630	21	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.9890	0.739	16	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.6680	0.132	2	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.5115	0.165	2	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.1123	0.095	4	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Er<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Er<15>,1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	121.3110	0.000	1	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	121.0415	0.158	2	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	Cl(C[6]C[6]2)	120.3413	0.902	6	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.4170	0.249	6	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	119.8110	0.815	2	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.1089	1.033	28	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	121.7443	1.219	3	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.9060	0.000	1	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Y<15>,1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	121.3560	0.000	1	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.1743	0.599	6	120.7877	0.699	105	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]Ni)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){2|Ni<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]Ni)(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.1960	0.000	1	120.1960	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	120.5050	0.000	1	120.9585	5.001	34	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	119.6755	0.240	2	120.9585	5.001	34	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	121.1542	2.519	26	120.9585	5.001	34	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	120.7285	0.313	4	120.9585	5.001	34	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	119.8090	0.000	1	120.9585	5.001	34	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	121.5430	0.000	1	120.9160	0.768	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	121.2515	0.030	2	120.9160	0.768	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	119.6180	0.000	1	120.9160	0.768	4	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|Cl<1>,1|N<2>,1|O<1>}	Cl(C[6]C[6]2)	120.8095	0.463	2	120.8095	0.215	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	116.6780	0.000	1	116.6780	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	119.5490	0.000	1	119.5490	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.2890	0.000	1	119.2890	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.9720	0.000	1	120.3026	0.149	16	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2)	120.1645	0.227	2	120.3026	0.149	16	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.4632	0.465	6	120.3026	0.149	16	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.2516	0.359	7	120.3026	0.149	16	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.8670	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.8580	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.3140	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	Cl(C[6]C[6]2)	121.5610	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|P<4>}	Cl(C[6]C[6]2)	119.8740	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|C<2>}	Cl(C[6]C[6]2)	118.9810	0.000	1	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.6405	0.269	2	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.0770	0.208	2	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	118.9186	0.305	7	119.4894	0.544	17	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.2890	0.000	1	119.6220	0.222	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.9550	0.000	1	119.6220	0.222	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	117.7610	0.000	1	117.7610	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.3040	0.000	1	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.8535	0.138	2	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.9910	0.000	1	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.1430	0.000	1	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.0787	0.054	3	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.9610	0.728	2	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.2860	0.238	2	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.5840	1.172	2	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.5867	0.586	3	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.8285	0.272	2	119.4979	0.389	19	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.3350	0.000	1	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.1720	0.000	1	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.4260	0.144	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.5500	0.305	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.6440	0.000	1	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.9780	0.000	1	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.4913	0.185	3	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.2510	0.000	1	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.4585	0.597	131	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.4868	0.492	4	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.9175	1.220	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.1090	0.628	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	120.0165	0.067	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.8835	0.619	2	119.5334	0.380	155	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.3590	0.000	1	119.3590	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	118.9680	0.000	1	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2)	118.9505	0.401	2	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.6815	0.561	2	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.0990	0.000	1	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	118.6520	0.492	6	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.3197	0.532	3	119.0135	0.302	15	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	Cl(C[6]C[6]2)	119.8075	0.086	2	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	119.0790	1.291	2	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	118.9929	0.126	8	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	118.9485	0.159	2	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	118.7590	0.389	6	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	119.1276	0.917	7	119.0393	0.360	27	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	119.7660	0.000	1	119.3825	0.294	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6]C[6]2)	118.9990	0.000	1	119.3825	0.294	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H){1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	118.8880	0.000	1	118.8880	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|Cl<1>,1|N<2>,1|O<1>}	Cl(C[6]C[6]2)	120.2425	0.018	2	120.2425	0.000	2	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	Cl(C[6]C[6]2)	119.8350	0.000	1	119.8350	0.000	1	119.8171	1.585	474	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Cl)2(O){1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	114.7985	0.359	2	114.7985	0.129	2	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	Cl(C[6]C[6]2)	117.2315	0.291	4	117.2315	0.085	4	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O){1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	117.4440	0.000	1	117.4440	0.000	1	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6]C[6]2)	114.5180	0.000	1	114.5285	0.000	2	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,2|C<3>}	Cl(C[6]C[6]2)	114.5390	0.000	1	114.5285	0.000	2	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<1>,1|C<3>}	Cl(C[6]C[6]2)	116.6990	0.684	2	115.7649	0.420	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	115.5688	0.385	26	115.7649	0.420	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	115.2130	0.000	1	115.7649	0.420	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	117.0723	0.735	3	115.7649	0.420	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	115.6270	0.000	1	115.7649	0.420	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	116.2010	0.025	2	116.2010	0.001	2	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	116.3510	0.000	1	116.5390	0.534	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	115.2940	0.000	1	116.5390	0.534	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	116.5469	0.697	30	116.5390	0.534	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	117.7370	0.000	1	116.5390	0.534	33	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6]C[6]2)	115.6635	0.093	4	116.0413	0.760	7	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	115.8150	0.051	2	116.0413	0.760	7	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6]C[6]2)	118.0050	0.000	1	116.0413	0.760	7	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	117.3988	0.415	4	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6]C[6]2)	115.2420	0.000	1	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	115.8910	0.000	1	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6]C[6]2)	115.3440	0.308	2	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,2|C<3>}	Cl(C[6]C[6]2)	115.5340	0.000	1	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	115.6658	0.423	137	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	117.2428	0.502	20	115.8917	0.506	166	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,2|C<4>}	Cl(C[6]C[6]2)	115.4720	0.000	1	115.4720	0.000	1	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.4120	0.000	1	117.8070	0.130	7	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	117.7062	0.265	6	117.8070	0.130	7	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.2125	0.291	4	118.7070	2.613	8	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	115.4220	0.000	1	118.7070	2.613	8	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.6590	0.000	1	118.7070	2.613	8	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.3625	2.316	2	118.7070	2.613	8	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.3760	0.000	1	118.3760	0.000	1	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	116.5550	0.000	1	116.5267	0.635	28	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	116.9564	0.412	8	116.5267	0.635	28	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	116.0520	0.555	16	116.5267	0.635	28	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	117.9037	0.534	3	116.5267	0.635	28	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,1|C<4>,1|N<3>}	Cl(C[6]C[6]2)	112.3470	0.000	1	112.3470	0.000	1	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|N<3>}	Cl(C[6]C[6]2)	113.1500	0.000	1	113.1500	0.000	1	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|S<4>}	Cl(C[6]C[6]2)	112.2730	0.816	2	112.2730	0.666	2	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	118.5048	0.823	157	118.1914	0.749	325	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	117.6441	0.925	89	118.1914	0.749	325	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,2|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	118.1851	0.501	79	118.1914	0.749	325	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|O<2>}	Cl(C[6]C[6]2)	116.0387	0.742	3	116.0427	0.367	4	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)2(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	116.0550	0.000	1	116.0427	0.367	4	117.1833	2.000	628	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	119.2705	0.371	2	119.2705	0.138	2	119.2705	0.138	2	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	117.7640	0.000	1	117.7640	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.9745	0.452	2	118.9745	0.204	2	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	118.6827	0.116	3	118.6827	0.013	3	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H){1|Cl<1>,1|C<3>,1|H<1>}	Cl(C[6]C[6]2)	119.2565	0.032	2	119.2565	0.001	2	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	117.8430	0.000	1	117.8430	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.4683	0.367	3	118.4683	0.135	3	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.2505	0.734	4	118.4472	0.419	6	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.8405	0.118	2	118.4472	0.419	6	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	120.2830	0.000	1	119.3361	0.209	7	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.1235	0.409	2	119.3361	0.209	7	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.2057	0.098	4	119.3361	0.209	7	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Er)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Er<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Er)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	119.7160	0.000	1	119.7160	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Fe)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Fe)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6]C[6]2)	118.2355	0.360	2	118.2355	0.130	2	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	120.0171	0.597	21	119.0453	1.213	67	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.6988	0.665	16	119.0453	1.213	67	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6]C[6]2)	119.3630	0.000	1	119.0453	1.213	67	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	120.0225	0.199	2	119.0453	1.213	67	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.4107	1.103	27	119.0453	1.213	67	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,1|H<1>,1|S<2>}	Cl(C[6]C[6]2)	119.8180	1.087	6	119.4246	0.655	14	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.2324	0.254	7	119.4246	0.655	14	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){2|Ni<4>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.4100	0.000	1	119.4246	0.655	14	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Os)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Os)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6]C[6]2)	118.8565	0.514	2	118.8565	0.264	2	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.4557	1.215	28	118.4557	1.477	28	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Re)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Re)(H){1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	118.0350	0.815	3	118.0350	0.664	3	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.8170	0.000	1	118.8170	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Y)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Y)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	119.0320	0.000	1	119.0320	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	119.2215	0.488	6	119.2215	0.238	6	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	112.9180	0.000	1	112.9180	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	121.3120	0.000	1	121.3120	0.000	1	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[6]H)2(Cl){1|Ru<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H){1|C<3>,1|H<1>,1|N<2>}	Cl(C[6]C[6]2)	120.1575	0.243	2	120.1575	0.059	2	118.8963	1.315	154	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[6]2)	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl){1|Zn<5>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]Cl)(H){1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]N[6])	123.2140	0.021	2	123.2140	0.000	2	123.2140	0.000	2	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	123.0235	0.340	2	123.0235	0.116	2	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]Ni)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ni)(C[6]N[6]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	120.7960	0.000	1	120.7960	0.000	1	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]Pd)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Pd)(C[6]N[6]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	120.2310	0.000	1	120.2310	0.000	1	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	120.3552	0.979	4	120.3552	0.958	4	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	122.1620	0.000	1	123.0120	0.195	10	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	123.4920	0.000	1	123.0120	0.195	10	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	123.0583	0.335	8	123.0120	0.195	10	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]N[6])	122.9280	0.000	1	122.3867	0.244	3	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]N[6])	122.1160	0.221	2	122.3867	0.244	3	122.1798	1.637	21	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl)	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H)	Cl(C[6]N[5,6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]N[5,6]C[6])	121.8135	0.078	6	121.8135	0.006	6	121.8135	0.006	6	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H)	Cl(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	Cl(C[6]N[6,6]C[6])	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]Al)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[5,6]Al)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H){1|Al<5>,1|C<3>,1|C<4>}	Cl(C[6]C[6]N[6])	119.0040	0.000	1	119.0040	0.000	1	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Co<4>,2|C<3>}	Cl(C[6]C[6]N[6])	119.3250	0.059	2	119.3250	0.004	2	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Re<6>,2|C<3>}	Cl(C[6]C[6]N[6])	116.6080	0.000	1	116.6080	0.000	1	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Zn<5>,2|C<3>}	Cl(C[6]C[6]N[6])	118.7900	0.966	4	118.7900	0.933	4	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Al)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.6235	0.630	4	119.6235	0.397	4	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.9700	0.683	2	118.9700	0.467	2	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.2250	0.382	2	118.1219	0.423	15	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	118.5062	0.316	4	118.1219	0.423	15	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	117.7060	0.335	9	118.1219	0.423	15	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	122.0660	0.000	1	119.7315	10.900	2	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	117.3970	0.000	1	119.7315	10.900	2	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Os)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Os)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	117.6820	0.000	1	117.6820	0.000	1	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	119.8675	0.407	2	119.8675	0.165	2	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]C[6]Re)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]N[6])	116.7460	0.000	1	116.7460	0.000	1	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]N[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]N[6])	C[6](N[6]N[6]Re)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|N<2>,1|O<2>}	Cl(C[6]C[6]N[6])	116.8430	0.000	1	116.8430	0.000	1	118.5598	1.364	36	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:1:	3:	P[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](P[6]C[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H)	Cl(C[6]C[6]P[6])	C[6](P[6]C[6]Re)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	Cl(C[6]C[6]P[6])	118.8940	0.486	5	118.8940	0.237	5	118.8940	0.237	5	119.0730	4.806	1789	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	Cl(C[6]C[6]2)	121.6775	0.183	2	121.6775	0.034	2	121.6775	0.034	2	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr){1|O<1>,3|C<3>}	Cl(C[6]C[6]2)	118.8690	0.000	1	118.8690	0.000	1	118.6658	0.095	4	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs){1|O<1>,3|C<3>}	Cl(C[6]C[6]2)	118.2320	0.000	1	118.2320	0.000	1	118.6658	0.095	4	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh){1|O<1>,3|C<3>}	Cl(C[6]C[6]2)	118.6630	0.000	1	118.6630	0.000	1	118.6658	0.095	4	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu){1|O<1>,3|C<3>}	Cl(C[6]C[6]2)	118.8990	0.000	1	118.8990	0.000	1	118.6658	0.095	4	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a])	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	Cl(C[6]C[6]2)	120.9255	0.339	2	120.9255	0.115	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	120.1675	0.607	2	120.1675	0.369	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	119.0720	0.000	1	117.9890	2.346	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>}	Cl(C[6]C[6]2)	116.9060	0.000	1	117.9890	2.346	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi){1|Cl<1>,1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	116.1210	0.007	2	116.1210	0.000	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){2|Cl<1>,1|C<3>}	Cl(C[6]C[6]2)	118.1430	0.000	1	118.1430	0.000	1	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH){1|Cl<1>,1|C<3>,1|S<3>}	Cl(C[6]C[6]2)	118.5470	0.000	1	118.5470	0.000	1	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.9128	0.511	4	120.9128	0.261	4	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	121.0180	0.000	1	120.6565	0.261	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	Cl(C[6]C[6]2)	120.2950	0.000	1	120.6565	0.261	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	120.9560	0.000	1	120.8755	0.367	4	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	Cl(C[6]C[6]2)	120.4455	0.343	2	120.8755	0.367	4	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	121.6550	0.000	1	120.8755	0.367	4	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	119.7227	0.520	6	119.7227	0.270	6	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	119.7150	0.653	16	119.7150	0.426	16	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	121.0796	0.865	59	121.1524	0.461	138	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,2|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	121.2069	0.496	79	121.1524	0.461	138	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	118.7250	0.187	2	118.7250	0.035	2	120.8012	1.106	182	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]N[6])	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	120.7549	1.221	191	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	Cl(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	C[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>}	Cl(C[6]C[5a,6]C[6])	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	Cl(C[6]C[6]2)	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(CHN)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	120.7807	1.077	4	120.7807	1.161	4	120.4882	1.299	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	119.3180	0.000	1	119.3180	0.000	1	120.4882	1.299	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	Cl(C[6]C[6]2)	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.6350	0.247	2	121.6350	0.061	2	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	122.6124	0.329	8	122.6124	0.108	8	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.8040	0.000	1	121.8040	0.000	1	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	122.6740	0.000	1	122.6740	0.000	1	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.4590	0.000	1	121.4590	0.000	1	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	Cl(C[6]C[6]2)	121.7230	0.000	1	121.7230	0.000	1	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	Cl(C[6]C[6]2)	126.2200	0.000	1	126.2200	0.000	1	122.5366	1.317	15	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6]C[6]2)	122.5560	0.000	1	122.5560	0.000	1	123.0625	0.513	2	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	Cl(C[6]C[6]2)	123.5690	0.000	1	123.5690	0.000	1	123.0625	0.513	2	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6]C[6]2)	120.9160	0.684	2	120.9160	0.469	2	121.5537	1.454	3	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	Cl(C[6]C[6]2)	122.8290	0.000	1	122.8290	0.000	1	121.5537	1.454	3	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	123.5750	0.823	2	123.5750	0.677	2	123.2040	0.228	6	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	122.9085	0.006	2	122.9085	0.000	2	123.2040	0.228	6	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	123.1285	0.028	2	123.1285	0.001	2	123.2040	0.228	6	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	118.7580	0.000	1	118.7580	0.000	1	117.9618	0.222	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	117.8595	0.136	2	117.8595	0.019	2	117.9618	0.222	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	Cl(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	Cl(C[6]C[6]2)	117.6660	0.195	2	117.6660	0.038	2	117.9618	0.222	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	Cl(C[6]C[6]2)	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	122.3730	0.000	1	122.3730	0.000	1	121.5204	0.353	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]N[6])	121.1140	0.000	1	121.3073	0.168	4	121.5204	0.353	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	Cl(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	Cl(C[6]C[6]N[6])	121.3717	0.477	3	121.3073	0.168	4	121.5204	0.353	5	121.6126	3.519	45	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	119.1410	0.075	2	119.1410	0.006	2	120.1040	2.785	3	121.8916	5.877	8	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	Cl(C[6]C[6]2)	122.0300	0.000	1	122.0300	0.000	1	120.1040	2.785	3	121.8916	5.877	8	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	Cl(C[6]C[6]2)	121.7870	0.000	1	121.7870	0.000	1	124.1957	4.372	3	121.8916	5.877	8	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	Cl(C[6]C[6]2)	125.4000	0.202	2	125.4000	0.041	2	124.1957	4.372	3	121.8916	5.877	8	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	Cl(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	Cl(C[6]C[6]2)	121.1170	0.332	2	121.1170	0.110	2	121.1170	0.110	2	121.8916	5.877	8	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:O-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[6,6]C[6])	115.0210	0.000	1	115.6403	0.437	13	115.4796	0.765	14	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:O-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Cl(C[6]C[6,6]C[6])	116.0470	0.893	3	115.6403	0.437	13	115.4796	0.765	14	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:O-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	Cl(C[6]C[6,6]C[6])	116.7110	0.000	1	115.6403	0.437	13	115.4796	0.765	14	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:O-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|O<1>}	Cl(C[6]C[6,6]C[6])	115.4314	0.426	8	115.6403	0.437	13	115.4796	0.765	14	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:O-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	Cl(C[6]C[6,6]C[6])	113.3910	0.000	1	113.3910	0.000	1	115.4796	0.765	14	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]HH)(H){3|C<3>}	Cl(C[6]C[6,6a]C[6])	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	115.8843	3.166	15	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO){1|H<1>,3|C<3>}	Cl(C[6]C[6,6a]C[6])	120.8510	0.000	1	120.8510	0.000	1	120.8493	0.031	3	120.8945	0.570	6	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	Cl(C[6]C[6,6a]C[6])	120.8485	0.248	2	120.8485	0.062	2	120.8493	0.031	3	120.8945	0.570	6	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6]C[6]2)	121.6195	0.040	2	121.6195	0.002	2	121.6195	0.002	2	120.8945	0.570	6	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	Cl(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	Cl(C[6]N[6,6]C[6])	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	120.8945	0.570	6	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[5,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	Cl(C[6]C[5,6]C[6])	117.0120	0.000	1	117.0120	0.000	1	117.0120	0.000	1	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H){1|C<3>,2|H<1>,4|C<4>}	Cl(C[6]C[6,6]C[6])	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	Cl(C[6]C[6,6a]C[6])	118.5800	0.000	1	119.3845	1.294	2	119.3845	1.294	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Cl)(H){5|C<3>}	Cl(C[6]C[6,6a]C[6])	120.1890	0.000	1	119.3845	1.294	2	119.3845	1.294	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl)	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H){1|Cl<1>,1|O<1>,4|C<4>}	Cl(C[6]C[6]2)	121.9960	0.000	1	121.9960	0.000	1	121.9960	0.000	1	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	Cl(C[6]C[6]2)	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	Cl(C[6]C[6]2)	122.0450	0.023	2	122.0450	0.001	2	122.0450	0.001	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	115.1760	0.000	1	115.2095	0.002	2	115.2095	0.002	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<4>,3|C<3>}	Cl(C[6]C[6]2)	115.2430	0.000	1	115.2095	0.002	2	115.2095	0.002	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	Cl(C[6]C[6]2)	122.0640	0.000	1	122.0640	0.000	1	121.8755	0.071	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6]C[6]2)	121.6870	0.000	1	121.6870	0.000	1	121.8755	0.071	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|C<3>}	Cl(C[6]C[6]2)	117.1650	0.283	2	117.1650	0.080	2	117.1650	0.080	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	120.1130	0.983	2	120.1130	0.966	2	120.1130	0.966	2	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<3>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2)	115.8450	0.601	2	115.8450	0.361	2	115.7705	0.317	6	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|N<2>,3|C<3>}	Cl(C[6]C[6]2)	115.5310	0.195	2	115.5310	0.038	2	115.7705	0.317	6	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	115.2260	0.000	1	115.2260	0.000	1	115.7705	0.317	6	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<4>,1|O<2>,2|H<1>}	Cl(C[6]C[6]2)	116.6450	0.000	1	116.6450	0.000	1	115.7705	0.317	6	118.1437	7.176	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC)	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC){1|C<4>,1|O<1>,2|H<1>}	Cl(C[6]C[6]2)	119.2350	0.000	1	119.2350	0.000	1	119.2350	0.000	1	119.2350	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:3:	3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	Cl(C[6]C[6,6a]C[6])	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>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	Cl(C[6]C[6,6a]C[6])	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	117.7715	1.900	13	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	117.3972	1.222	8	117.5192	1.170	12	117.5192	1.170	12	117.7715	1.900	13	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	Cl(C[6]C[6]2)	117.7630	0.831	4	117.5192	1.170	12	117.5192	1.170	12	117.7715	1.900	13	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:Cl-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(Cl){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]Cl)(H){1|O<2>,3|C<4>,7|H<1>}	Cl(C[6]C[6]2)	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	3:4:1:	4:3:3:	3:	C[6]-3:C[6]-4:Cl-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	Cl(C[6]C[6]2)	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:2:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:O[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl)	C[6](C[6]C[6]Cl)(O[6]C[6])(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]O[6]H)(Cl){1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	Cl(C[6]C[6]2)	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[5,6]C[6])	120.4190	0.000	1	120.4190	0.000	1	121.2385	1.343	2	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	Cl(C[6]C[5,6]C[6])	122.0580	0.000	1	122.0580	0.000	1	121.2385	1.343	2	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	Cl(C[6]C[5,6]C[6])	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	Cl(C[6]C[6]2)	120.5255	0.180	2	120.5255	0.033	2	120.5255	0.033	2	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2)	120.2020	0.000	1	120.2020	0.000	1	120.1318	0.259	5	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	Cl(C[6]C[6]2)	120.5755	0.008	2	120.5755	0.000	2	120.1318	0.259	5	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Cl(C[6]C[6]2)	119.6530	0.421	2	119.6530	0.178	2	120.1318	0.259	5	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]ZrO)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	Cl(C[6]C[6]2)	C[6](C[6]C[6]ZrO)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Zr<16>,1|Cl<1>,1|C<4>,1|O<2>}	Cl(C[6]C[6]2)	118.1505	0.633	8	118.1505	0.401	8	118.1505	0.401	8	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	Cl(C[6]C[6]2)	119.2212	0.537	4	119.2212	0.289	4	119.2212	0.289	4	119.4460	1.676	22	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6]C[6]2)	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:4:1:	3:	C[5,6,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H)	Cl(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]Cl)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[6]C[5,6,6]C[6])	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	120.0350	1.421	3	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H)	Cl(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	Cl(C[6]C[5,6]C[6])	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	120.0350	1.421	3	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H)	Cl(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(Cl){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Cl(C[6]C[6,6]C[6])	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	120.0350	1.421	3	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl)	Cl(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	Cl(C[6]C[6]2)	121.9790	0.533	2	121.9790	0.284	2	121.9790	0.284	2	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Cl){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Cl)(H){1|C<4>,2|H<1>,2|O<2>}	Cl(C[6]C[6]2)	119.6920	0.000	1	119.6920	0.000	1	120.9188	4.851	5	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]CC)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|O<1>,2|C<4>}	Cl(C[6]C[6]2)	118.7940	0.000	1	118.7940	0.000	1	120.9188	4.851	5	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]ClH)(C[6]C[6]H)(Cl){3|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	Cl(C[6]C[6]2)	120.9780	0.000	1	120.9780	0.000	1	120.9188	4.851	5	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H){1|C<4>,1|S<4>,2|H<1>}	Cl(C[6]C[6]2)	120.5700	0.000	1	120.5700	0.000	1	120.9188	4.851	5	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl)	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H)	Cl(C[6]C[6]2)	C[6](C[6]N[5a,6]HN)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,2|N<3>}	Cl(C[6]C[6]2)	124.5600	0.000	1	124.5600	0.000	1	120.9188	4.851	5	121.2217	3.549	7	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	Cl(C[6]C[6]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	Cl(C[6]C[6]2)	121.5495	0.385	2	121.5495	0.149	2	121.5495	0.149	2	121.5495	0.149	2	119.2774	4.756	2205	119.3412	4.959	2247
762	762	790	0:SP2_SP-NON_SP2	C[6]	C[6]	Cl	4:3:1:	4:3:4:	3:	C[6]-4:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	Cl(C[6]C[6]2)	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	Cl(C[6]C[6]2)	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	119.2774	4.756	2205	119.3412	4.959	2247
762	762	811	0:SP2_SP2_SP3	C[6]	C[6]	B[6a]	4:3:3:	3:3:1:	2:2:3:2:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|O<2>}	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.0223	1.935	3	123.0223	3.743	3	123.0223	3.743	3	122.2882	3.258	6	122.2882	3.258	6	122.2882	3.258	6
762	762	811	0:SP2_SP2_SP3	C[6]	C[6]	B[6a]	4:3:3:	3:3:1:	2:2:3:2:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	O[6a]-2:O[6a]-2:C[6]-3:O-2:	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	B[6a](O[6a]C[6a,6a])(O[6a]C[6a])(C[6]C[6]2)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.5540	1.669	3	121.5540	2.784	3	121.5540	2.784	3	122.2882	3.258	6	122.2882	3.258	6	122.2882	3.258	6
762	762	813	0:SP2_SP2_SP2	C[6,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.3570	0.000	1	122.6687	1.135	3	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	122.8245	2.124	2	122.6687	1.135	3	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	122.8245	2.124	2	122.6687	1.135	3	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd)	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:2:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:2:2:	3:3:2:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:P[6]-2:O-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6])	C[6](C[6]N[5a]N[6])(P[6]C[6])(OAl)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]P[6]O)(N[6]N[6]){1|C<4>,3|C<3>}	C[6](C[6]N[5a]N[6])(P[6]C[6])(OAl){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.4400	0.195	2	120.6269	0.878	7	120.6269	0.878	7	120.6269	0.878	7	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.5205	0.898	4	120.6269	0.878	7	120.6269	0.878	7	120.6269	0.878	7	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Pd<4>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.4260	0.000	1	120.6269	0.878	7	120.6269	0.878	7	120.6269	0.878	7	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(N[6]C[6]Cu)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6]H)(N[6]C[6]){1|Cu<5>,1|H<1>,5|C<3>}	C[6](C[6]N[5a]N[6])(N[6]C[6]Cu)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|N<3>,3|H<1>,5|C<3>}	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	N[5a](C[5a]C[5a]2)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(C[6]C[6]2){1|C<2>,2|S<2>,3|C<3>,4|H<1>}	120.0140	0.000	1	120.0140	0.000	1	120.4617	0.185	3	120.4617	0.185	3	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2){2|C<2>,2|H<1>,2|S<2>}	120.6855	0.264	2	120.6855	0.070	2	120.4617	0.185	3	120.4617	0.185	3	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:2:4:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[5a,6a]-3:B[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	118.9450	0.584	2	118.9450	0.341	2	118.9450	0.341	2	118.9450	0.341	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	118.1480	0.000	1	118.1480	0.000	1	120.0641	2.057	8	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	121.5360	0.000	1	121.1737	0.101	3	120.0641	2.057	8	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	120.9925	0.070	2	121.1737	0.101	3	120.0641	2.057	8	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	119.7110	1.453	4	119.7110	2.111	4	120.0641	2.057	8	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	118.6700	0.000	1	118.6700	0.000	1	118.6740	0.330	4	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	119.4710	0.000	1	119.4710	0.000	1	118.6740	0.330	4	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]Ru)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]Ru)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	118.2775	0.203	2	118.2775	0.041	2	118.6740	0.330	4	119.6008	1.867	12	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H)	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H){1|Ir<8>,1|N<2>,3|C<3>}	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.0080	1.388	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	119.0080	1.388	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){3|H<1>,7|C<3>}	119.4160	0.000	1	119.4160	0.000	1	120.7550	1.364	3	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H){1|Pt<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,3|H<1>,6|C<3>}	121.4245	0.196	2	121.4245	0.038	2	120.7550	1.364	3	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	122.1655	1.821	2	122.1655	3.315	2	121.5514	0.925	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	C[6](C[6]N[5a]C[6])2(H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	121.3979	0.762	8	121.3979	0.581	8	121.5514	0.925	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	121.4050	0.000	1	121.4050	0.000	1	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a]N[5a]H)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	121.3955	0.066	2	121.3955	0.004	2	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	N[5a](C[5a]C[5a]2)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)2(C[6]C[6]2){1|C<2>,2|S<2>,3|C<3>,4|H<1>}	119.4930	0.000	1	119.4930	0.000	1	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	N[5a](C[5a]C[5a]H)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6]C[6]2){2|C<3>,4|H<1>}	121.1225	0.105	2	121.1225	0.011	2	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	118.9380	1.952	2	119.3053	2.428	4	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	119.6725	1.713	2	119.3053	2.428	4	120.3155	1.876	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Cu)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	119.7666	1.157	8	119.7666	1.338	8	119.6730	1.662	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Re)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Re)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	119.2985	2.290	2	119.2985	5.246	2	119.6730	1.662	10	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Mn)(H)	N[5a](C[5a]N[5a]H)2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Mn)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	118.9130	0.375	2	118.9130	0.140	2	118.9130	0.140	2	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:C[5a]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Cu<4>,3|H<1>,6|C<3>}	119.7260	0.158	2	119.7260	0.025	2	120.7172	0.468	11	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	121.0303	0.645	6	121.0303	0.416	6	120.7172	0.468	11	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	120.7517	0.101	3	120.7517	0.010	3	120.7172	0.468	11	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	125.4330	0.000	1	125.4330	0.000	1	125.4330	0.000	1	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6])	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	122.1310	0.066	2	122.1310	0.004	2	122.1310	0.004	2	120.6579	2.137	51	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a])	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:3:	3:4:2:	3:2:3:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:3:4:	3:3:4:	3:3:3:	N[5a]-3:C[6]-3:C[6]-4:	N[5a]-3:C[6]-3:C[6]-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH)	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH){1|Cu<4>,2|H<1>,2|N<3>,5|C<3>}	C[6](N[5a]C[5a,6]C[5a])(C[6]N[5a]C[6])(C[6]C[6]CuH){1|Cu<4>,2|H<1>,2|N<3>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.2935	0.360	2	123.2935	0.130	2	123.2935	0.130	2	123.2935	0.130	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:4:3:	3:4:1:	3:3:3:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.1440	0.286	6	120.1440	0.286	6	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	3:4:3:	3:4:1:	3:3:3:	N[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[6](N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	120.0918	0.581	5	120.0918	0.338	5	120.1440	0.286	6	120.1440	0.286	6	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|C<4>,3|H<1>,5|C<3>}	120.7320	0.956	2	120.7320	0.914	2	120.7320	0.914	2	120.7320	0.914	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP2	C[6]	C[6]	N[5a]	4:3:3:	3:3:4:	3:3:3:	C[5,6]-4:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|H<1>,3|C<4>,5|C<3>}	120.6405	0.390	2	120.6405	0.152	2	120.6405	0.152	2	120.6405	0.152	2	120.4178	1.873	96	120.5107	2.030	100
762	762	813	0:SP2_SP2_SP3	C[6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	122.2050	0.639	2	122.2050	0.409	2	122.2050	0.409	2	122.2050	0.409	2	122.2050	0.409	2	122.2050	0.409	2
762	762	813	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh)	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh){1|C<4>,1|H<1>,4|C<3>}	118.2600	0.000	1	118.2600	0.000	1	118.3810	0.029	2	118.3810	0.029	2	118.3810	0.029	2	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru)	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru){1|C<4>,1|H<1>,4|C<3>}	118.5020	0.000	1	118.5020	0.000	1	118.3810	0.029	2	118.3810	0.029	2	118.3810	0.029	2	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6]-3:C-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:2:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	118.2480	0.028	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:2:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	118.2480	0.028	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H){1|O<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6,6a]H)(H){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>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]H)(H){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>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]H)(H){1|N<2>,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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){2|H<1>,4|C<3>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H){5|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	118.4860	0.000	1	118.4860	0.000	1	119.1082	0.231	4	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	119.2730	0.406	2	119.2730	0.165	2	119.1082	0.231	4	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	119.4010	0.000	1	119.4010	0.000	1	119.1082	0.231	4	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	118.9060	0.000	1	118.9060	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H){2|C<3>,3|H<1>}	119.4063	0.615	6	119.4063	0.379	6	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H){2|C<3>,3|H<1>}	118.8275	0.349	2	118.8275	0.122	2	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	119.4595	0.286	2	119.4595	0.082	2	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	119.3025	0.950	2	119.3025	0.902	2	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	119.5600	0.000	1	119.5600	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	118.6930	0.000	1	118.6930	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	118.2130	0.000	1	118.2130	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	118.5580	0.000	1	117.9510	1.096	3	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	117.6475	1.281	2	117.9510	1.096	3	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	117.4190	0.000	1	117.4190	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	119.4890	0.000	1	119.4890	0.000	1	118.9405	0.692	21	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	119.8490	0.000	1	119.9775	0.033	2	119.7053	0.239	3	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	120.1060	0.000	1	119.9775	0.033	2	119.7053	0.239	3	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.7053	0.239	3	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>}	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O)	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O){1|C<4>,4|C<3>}	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	115.7135	0.110	2	115.7135	0.012	2	115.7135	0.012	2	118.5640	3.473	37	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	119.9923	0.237	3	119.9923	0.056	3	119.9543	0.043	4	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	119.8400	0.000	1	119.8400	0.000	1	119.9543	0.043	4	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	119.5490	0.000	1	119.5490	0.000	1	119.9159	0.114	7	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	119.9770	0.325	6	119.9770	0.106	6	119.9159	0.114	7	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.4190	0.430	2	120.4190	0.185	2	120.4856	1.309	38	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	119.8850	0.492	2	119.8850	0.242	2	120.4856	1.309	38	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	120.4692	0.499	6	120.4692	0.249	6	120.4856	1.309	38	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.5586	1.353	26	120.5586	1.830	26	120.4856	1.309	38	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	120.2525	0.093	2	120.2525	0.009	2	120.4856	1.309	38	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.5870	0.000	1	120.5870	0.000	1	120.2795	0.114	6	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.2795	0.114	6	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.2310	0.000	1	120.2310	0.000	1	120.2795	0.114	6	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	120.7580	0.000	1	120.7580	0.000	1	120.2795	0.114	6	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	119.9430	0.120	2	119.9430	0.014	2	120.2795	0.114	6	120.3519	0.972	55	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.3390	0.231	2	121.3390	0.053	2	121.3390	0.053	2	121.0527	0.076	9	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	120.8300	0.000	2	120.9048	0.033	6	120.9709	0.058	7	121.0527	0.076	9	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	120.7100	0.000	1	120.9048	0.033	6	120.9709	0.058	7	121.0527	0.076	9	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	121.0197	0.194	3	120.9048	0.033	6	120.9709	0.058	7	121.0527	0.076	9	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	121.3670	0.000	1	121.3670	0.000	1	120.9709	0.058	7	121.0527	0.076	9	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H){1|H<1>,6|C<3>}	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>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	120.0790	0.000	1	120.0790	0.000	1	119.7665	0.195	2	121.0856	2.594	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.4540	0.000	1	119.4540	0.000	1	119.7665	0.195	2	121.0856	2.594	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	121.0856	2.594	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	121.0856	2.594	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	121.7650	0.000	1	121.7650	0.000	1	121.7650	0.000	1	121.0856	2.594	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	3:4:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	119.0390	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	4:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H)	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H)	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	N[5a,6](N[5a,6]C[5,6,6]C[5a])(C[5a]N[5a]O)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<4>}	121.6895	0.228	2	121.6895	0.052	2	121.6895	0.052	2	120.8448	0.977	4	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:1:	4:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(H){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.0000	0.160	2	120.0000	0.026	2	120.0000	0.026	2	120.8448	0.977	4	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:2:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a])	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	117.2060	0.008	2	117.2060	0.000	2	117.2060	0.000	2	117.2060	0.000	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H)	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	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>}	C[6](C[6]N[5a,6]C[6a])(S[6]C[6])(H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|S<2>,4|C<3>,4|H<1>}	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	114.3060	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[5a,6]C[6a])(C[6]C[6a]N[6])(H)	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a])(C[6]C[6a]N[6])(H){1|N<2>,5|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6]){1|H<1>,1|N<2>,4|C<3>}	116.5555	0.141	2	116.5555	0.020	2	116.5555	0.020	2	116.5555	0.020	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|I<1>,7|C<3>}	117.7067	0.725	3	117.7067	0.526	3	117.7067	0.526	3	117.2807	1.529	6	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	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>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	117.2807	1.529	6	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh)	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S){2|H<1>,3|C<3>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	117.2807	1.529	6	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	117.2807	1.529	6	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	N[5a,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|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>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	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>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	119.4800	0.185	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	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>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	119.1500	0.470	2	119.1500	0.220	2	119.4403	0.363	3	119.4800	0.185	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	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>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	120.0210	0.000	1	120.0210	0.000	1	119.4403	0.363	3	119.4800	0.185	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6](N[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	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>}	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>}	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.4800	0.185	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	3:4:2:	3:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:Se-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6])	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>}	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a]){4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]){1|Se<2>,1|C<4>,1|H<1>,4|C<3>}	119.3760	0.301	3	119.3760	0.091	3	119.3760	0.091	3	119.3760	0.091	3	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	4:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	118.5730	1.878	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	4:3:1:	3:3:3:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	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>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[5a,6]C[6a])(H){1|C<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	117.6040	0.000	1	117.6040	0.000	1	117.6040	0.000	1	118.5730	1.878	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	4:3:2:	3:3:3:	N[5a,6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	118.8500	0.000	1	118.8500	0.000	1	118.8500	0.000	1	119.4130	0.634	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:3:	4:3:2:	3:3:3:	N[5a,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN)	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]N)(CN){1|N<3>,5|C<3>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.9760	0.000	1	119.9760	0.000	1	119.9760	0.000	1	119.4130	0.634	2	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|H<1>,3|C<3>}	113.9535	3.706	2	113.9535	13.734	2	113.9535	13.734	2	115.4372	6.214	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	116.4940	0.000	1	116.4940	0.000	1	115.7560	1.089	2	115.4372	6.214	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	115.0180	0.000	1	115.0180	0.000	1	115.7560	1.089	2	115.4372	6.214	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	115.4372	6.214	5	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	117.6295	0.730	4	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	118.2570	0.000	1	118.2570	0.000	1	117.3487	0.622	3	117.6295	0.730	4	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	116.8945	0.086	2	116.8945	0.007	2	117.3487	0.622	3	117.6295	0.730	4	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|S<2>,4|C<3>}	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:4:	3:2:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>}	115.7600	0.000	1	115.7600	0.000	1	115.7600	0.000	1	115.7600	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	813	6:SP2_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:4:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	119.3026	3.694	151	119.2904	3.632	154
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	3:3:3:	3:2:1:	3:4:3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H){1|C<4>,4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	124.6075	0.275	2	124.6075	0.076	2	124.6075	0.076	2	124.6075	0.076	2	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	117.5600	1.256	2	117.5600	1.577	2	117.5600	1.577	2	117.5600	1.577	2	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-3:C[5]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H){3|C<3>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	121.6620	0.000	1	121.6620	0.000	1	121.7260	0.008	2	121.7260	0.008	2	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	4:3:3:	3:3:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.7260	0.008	2	121.7260	0.008	2	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6]	4:3:3:	3:4:1:	3:4:4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O){2|C<3>,5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	121.5220	1.141	3	121.5220	1.303	3	121.5220	1.303	3	121.5220	1.303	3	121.2495	5.802	11	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6,6]	C[5]	3:3:3:	3:3:4:	3:2:2:	C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5](C[6]C[6,6]C[6])(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[5](C[6]C[6,6]C[6])(S[5]C[5])2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	126.2510	0.000	1	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5,5]	3:3:3:	3:3:1:	4:4:3:	C[5,5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6]-3:	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H)	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2)	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,5](C[5,5,6]C[5,5,6,6]C[5,6]H)2(C[6]C[6]2){2|C<4>,4|C<3>,6|H<1>}	121.6645	0.213	2	121.6645	0.045	2	121.6645	0.045	2	121.6645	0.045	2	121.6645	0.045	2	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	129.2710	0.000	1	129.2710	0.000	1	129.2710	0.000	1	129.2710	0.000	1	124.6082	14.876	10	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn){1|Zn<6>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]N[6])(C[5]C[5]HH){1|Zn<6>,2|C<3>,2|N<3>,4|H<1>}	126.4555	0.462	6	126.4555	0.214	6	126.4555	0.214	6	124.9450	8.158	8	124.6082	14.876	10	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[6]-3:N[5,6]-3:C[5]-4:	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](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[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH)	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>}	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>}	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	120.4135	1.132	2	120.4135	1.282	2	120.4135	1.282	2	124.9450	8.158	8	124.6082	14.876	10	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	4:3:3:	3:3:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	124.6082	14.876	10	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	2:3:3:	3:3:1:	3:3:3:	O[6]-2:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H)	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H)	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	C[5](C[6]C[6]O[6])(C[5]C[5]H)(C[5]O[5]H){1|C<3>,1|C<4>,1|H<1>}	126.1190	0.000	1	126.1190	0.000	1	125.9165	0.082	2	125.9165	0.082	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	2:3:3:	3:3:1:	3:3:3:	O[6]-2:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]O[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]O[6])(C[6]C[6,6a]H)(H){4|C<3>}	C[5](C[6]C[6]O[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,3|C<3>}	125.7140	0.000	1	125.7140	0.000	1	125.9165	0.082	2	125.9165	0.082	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:2:	3:2:3:	3:3:2:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[5,6]-3:C[6]-3:C[5]-2:	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5])	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5]){1|C<3>,1|N<3>,4|C<2>}	126.2930	0.000	1	126.2930	0.000	1	126.2930	0.000	1	126.2930	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6])	C[6](C[6]C[5]N[6])(N[6]C[6]Mn)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6]Mn)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	121.9083	7.596	3	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:2:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H)	C[5](C[6]C[6]O[6])(C[5]C[5]F)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,3|F<1>}	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6]C[6]O[6])(C[5]C[5]F)(N[5]C[5]){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	123.4975	0.199	2	123.4975	0.039	2	123.4975	0.039	2	121.9083	7.596	3	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6])	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	121.8970	0.000	1	121.8970	0.000	1	121.8970	0.000	1	123.2752	0.916	4	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:2:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5](C[6]C[6]O[6])(C[5]C[5,6]O)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	123.7347	0.327	3	123.7347	0.107	3	123.7347	0.107	3	123.2752	0.916	4	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){2|C<3>,2|H<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	120.1410	0.059	2	120.1410	0.004	2	120.1410	0.004	2	120.1410	0.004	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[5]-3:S[5]-2:C[6]-3:	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]N[5]S[5])(C[6]C[6]Ir)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[5]-3:C[6]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Pt<4>,1|C<2>,2|H<1>,4|C<3>}	118.7580	0.000	1	118.7580	0.000	1	118.7580	0.000	1	121.8670	12.759	5	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5]-3:C[6]-3:S[5]-2:	C[6](C[5]C[5]S[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[5]N[5]N)(C[6]C[6]2)(S[5]S[5])	C[6](C[5]C[5]S[5])(C[6]O[6]O)2{1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[5](C[5]N[5]N)(C[6]C[6]2)(S[5]S[5]){2|O<1>,2|O<2>}	120.1990	3.842	2	120.1990	14.764	2	120.1990	14.764	2	121.8670	12.759	5	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>}	124.7200	0.000	1	124.7200	0.000	1	125.0895	0.273	2	121.8670	12.759	5	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5])	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	125.4590	0.000	1	125.4590	0.000	1	125.0895	0.273	2	121.8670	12.759	5	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[5](C[5]C[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)2(C[6]C[6]2){1|C<2>,1|C<3>,4|H<1>}	119.4665	0.595	2	119.4665	0.354	2	119.4665	0.354	2	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[6]C[6]2)(N[5]C[5]C)2	C[6](C[5]N[5]2)(C[6]O[6]O)2{5|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]C)2{2|O<1>,2|O<2>,4|H<1>}	119.1720	1.018	2	119.1720	1.037	2	119.2473	0.388	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]O[6]O)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|O<1>,2|O<2>,4|H<1>}	119.3225	0.325	2	119.3225	0.105	2	119.2473	0.388	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	124.5390	0.000	1	124.5390	0.000	1	124.5390	0.000	1	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.6040	0.000	1	122.6040	0.000	1	123.6280	0.527	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.8470	0.305	2	123.9693	0.092	3	123.6280	0.527	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.2140	0.000	1	123.9693	0.092	3	123.6280	0.527	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H){1|O<1>,2|C<3>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	121.5290	0.000	1	121.5670	0.003	2	124.0718	8.369	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H){1|O<1>,2|C<3>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	121.6050	0.000	1	121.5670	0.003	2	124.0718	8.369	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	126.6400	0.000	1	126.6400	0.000	1	124.0718	8.369	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	126.5130	0.000	1	126.5130	0.000	1	124.0718	8.369	4	122.0840	7.533	15	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5,6a]-3:C[5]-4:C[6]-3:	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	122.5359	2.644	8	122.5359	6.992	8	122.5359	6.992	8	122.5359	6.992	8	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5]-4:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]H){2|O<1>,2|O<2>,4|H<1>}	120.2355	0.029	2	120.2355	0.001	2	120.2355	0.001	2	119.9009	3.945	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5]-4:N[5]-3:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]H)(C[6]C[6]2){2|O<1>,2|O<2>,4|C<3>}	120.5650	1.882	4	120.5650	3.540	4	120.5650	3.540	4	119.9009	3.945	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:1:	4:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O)	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O){1|N<3>,1|O<2>,5|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	119.9009	3.945	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:O[6]-2:O-2:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O)	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt)	C[5](N[5]C[5,6a]Pt)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O){2|Pt<4>,4|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Pt)2(C[6]C[6]2){1|H<1>,2|O<2>,3|C<3>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-2:N[5]-2:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	121.8987	4.364	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	S[5]-2:S[5]-2:C[6]-3:	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H)	C[5](S[5]C[5,5])2(C[6]C[6]2)	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[5](S[5]C[5,5])2(C[6]C[6]2){2|Se<2>,2|C<3>,2|H<1>}	123.8040	0.011	2	123.8040	0.000	2	122.3465	2.939	4	121.8987	4.364	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	S[5]-2:S[5]-2:C[6]-3:	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H)	C[5](S[5]C[5,6])2(C[6]C[6]2)	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[5](S[5]C[5,6])2(C[6]C[6]2){2|C<3>,2|H<1>,2|O<2>}	120.8890	0.566	2	120.8890	0.320	2	122.3465	2.939	4	121.8987	4.364	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[5]-2:N[5]-2:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Co)(H)	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]Co)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	121.8987	4.364	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	122.0280	0.000	1	122.0280	0.000	1	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	121.7720	0.202	4	122.1386	0.703	5	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	123.6050	0.000	1	122.1386	0.703	5	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	121.7085	1.132	2	121.7750	1.158	6	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	121.9150	1.575	2	121.7750	1.158	6	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	121.7015	1.402	2	121.7750	1.158	6	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{2|C<3>,2|H<1>}	121.0377	0.820	30	121.0965	0.977	36	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{2|C<3>,2|H<1>}	121.0815	3.314	2	121.0965	0.977	36	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{2|C<3>,2|H<1>}	121.7295	1.057	2	121.0965	0.977	36	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{2|C<3>,2|H<1>}	121.3610	1.245	2	121.0965	0.977	36	121.3093	1.057	48	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|H<1>,1|O<1>,4|C<3>}	122.2680	0.000	1	122.2680	0.000	1	122.5627	0.099	3	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	122.7100	0.259	2	122.7100	0.067	2	122.5627	0.099	3	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|H<1>,1|O<1>,4|C<3>}	117.6650	0.000	1	117.6650	0.000	1	119.0695	3.945	2	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,4|H<1>}	120.4740	0.000	1	120.4740	0.000	1	119.0695	3.945	2	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	120.1128	0.430	4	120.1128	0.185	4	119.8748	0.355	6	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H)	C[5](C[6]C[6]2)(N[5]N[5])2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]N[5])2{1|C<3>,1|N<3>,2|H<1>}	118.8780	0.000	1	118.8780	0.000	1	119.8748	0.355	6	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H)	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]2)(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	119.9200	0.000	1	119.9200	0.000	1	119.8748	0.355	6	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,4|H<1>}	118.7510	0.000	1	118.7510	0.000	1	118.7510	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5])	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5](C[6]C[6]N[6])(N[5]C[5])(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	121.4075	1.368	2	121.4075	1.872	2	121.4075	1.872	2	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	C[5](C[6]C[6,6]C[6])(S[5]C[5])2	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	C[5](C[6]C[6,6]C[6])(S[5]C[5])2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6]-3:C[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-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](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O)	C[5](C[6]C[6,6a]C[6])(S[5]C[5])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2){1|H<1>,6|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>}	C[5](C[6]C[6,6a]C[6])(S[5]C[5])2{1|O<1>,2|S<2>,3|C<3>}	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O)	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5])	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	116.2000	0.000	1	116.2000	0.000	1	118.1015	7.231	2	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[5](C[6]C[6]2)(S[5]C[5])2{2|C<3>,2|O<1>,4|H<1>}	120.0030	0.000	1	120.0030	0.000	1	118.1015	7.231	2	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5])	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H){1|O<1>,2|C<3>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])(S[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	123.2040	0.000	1	123.2040	0.000	1	123.2040	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O){1|O<1>,2|C<3>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{2|C<3>,2|O<1>,4|H<1>}	119.5900	0.000	1	119.5900	0.000	1	119.5900	0.000	1	120.8431	2.832	69	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	120.4030	0.000	1	120.4030	0.000	1	120.6583	4.069	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5]){2|H<1>,5|C<3>}	120.7860	2.835	2	120.7860	8.040	2	120.6583	4.069	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:O[5]-2:	C[6](C[5]C[5]O[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]C[5]O[5])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	122.7255	1.389	2	122.7255	1.931	2	122.7255	1.931	2	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:S[5]-2:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[6]S[5])(C[6]C[6]2)(S[5]C[5]){2|H<1>,5|C<3>}	121.0157	1.209	23	121.0157	1.463	23	121.1557	1.307	31	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:S[5]-2:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5]){2|H<1>,3|C<3>}	122.0695	1.306	2	121.5581	0.756	8	121.1557	1.307	31	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:S[5]-2:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5])	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]S[5]H)(C[6]C[6]2)(S[5]C[5]){2|H<1>,3|C<3>}	121.3877	0.760	6	121.5581	0.756	8	121.1557	1.307	31	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	118.9220	0.000	1	118.9220	0.000	1	120.6552	8.444	5	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5](C[6]C[6]2)(N[5]N[5]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	121.4750	0.458	2	121.4750	0.210	2	120.6552	8.444	5	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	120.7020	5.405	2	120.7020	29.215	2	120.6552	8.444	5	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](N[5]C[5,6]C[6a])(C[6]C[6]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	120.3685	0.063	2	120.3685	0.004	2	120.7237	0.380	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|N<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[6]C[6]2)(N[5]N[5]){1|Pt<4>,1|C<2>,2|H<1>,4|C<3>}	121.4340	0.000	1	121.4340	0.000	1	120.7237	0.380	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5])	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[6]C[6]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	122.8920	0.000	1	122.8920	0.000	1	122.8920	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,1|H<1>,3|C<3>}	120.5350	0.000	1	120.5350	0.000	1	120.5350	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:Se[5]-2:	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a])	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|Se<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]Pt)(C[6]C[6]N[6])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	128.1913	1.025	3	128.1913	1.051	3	128.1913	1.051	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-2:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]C)(N[5]C[5]){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:S[5]-2:	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]S[5]S)(S[5]C[5])	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]S[5]S)(S[5]C[5]){1|Zn<4>,1|H<1>,3|C<3>}	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-2:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<2>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]){1|H<1>,2|C<3>}	122.6310	0.000	1	122.0945	0.576	2	122.0945	0.576	2	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-2:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5])	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]){2|C<3>,3|H<1>}	121.5580	0.000	1	122.0945	0.576	2	122.0945	0.576	2	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ag)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ag)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	122.8555	0.433	4	122.8555	0.188	4	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,5|H<1>}	123.1810	0.000	1	126.6272	4.326	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	123.6280	0.272	2	126.6272	4.326	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	128.3700	0.421	3	126.6272	4.326	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	127.5920	0.000	1	126.6272	4.326	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	127.4400	0.304	4	126.6272	4.326	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	127.5189	0.784	8	127.6288	0.511	12	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){2|C<3>,5|H<1>}	127.8487	0.586	4	127.6288	0.511	12	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	124.4115	0.848	2	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|Cu<4>,3|C<3>,4|H<1>}	118.9340	1.332	2	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,4|H<1>}	118.1138	1.471	6	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	121.5798	1.004	6	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){3|C<3>,4|H<1>}	123.2545	1.159	2	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	129.2520	0.099	2	121.4933	12.895	20	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	125.8830	0.839	6	127.9232	2.568	101	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	127.6050	0.000	1	127.9232	2.568	101	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	127.4370	0.927	36	127.9232	2.568	101	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,5|H<1>}	129.8218	1.536	16	127.9232	2.568	101	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){3|C<3>,4|H<1>}	127.9158	1.535	42	127.9232	2.568	101	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5]){1|H<1>,3|C<3>}	124.1943	0.907	3	124.1943	0.823	3	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,5|H<1>}	129.9045	0.371	4	129.9045	0.137	4	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	129.0760	0.000	1	129.4647	0.122	3	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	129.6590	0.134	2	129.4647	0.122	3	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	128.6265	5.308	2	128.6265	28.178	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	126.1105	0.472	2	126.1105	0.222	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	123.2610	0.000	1	123.5130	0.127	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5,5]Ni)(O[5]C[5,5]){3|H<1>,4|C<3>}	123.7650	0.000	1	123.5130	0.127	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	123.6450	0.000	1	130.1515	13.799	6	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	132.2278	1.436	4	130.1515	13.799	6	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	128.3530	0.000	1	130.1515	13.799	6	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	128.2612	1.886	4	127.3186	9.885	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,5|H<1>}	130.6760	0.000	1	127.3186	9.885	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|C<3>,4|H<1>}	126.1884	4.024	5	127.3186	9.885	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|H<1>,4|C<3>}	125.8420	0.000	1	127.3186	9.885	11	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,3|C<3>}	124.8623	0.474	3	124.8623	0.224	3	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(O[5]C[5]){3|C<3>,4|H<1>}	124.1250	0.000	1	124.1250	0.000	1	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5]){1|H<1>,3|C<3>}	124.6830	0.000	1	124.6830	0.000	1	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5]){2|C<3>,5|H<1>}	126.7330	0.000	1	125.3490	3.831	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	123.9650	0.000	1	125.3490	3.831	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(O[5]C[5])	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	124.8865	0.450	2	124.8865	0.203	2	126.8861	9.147	190	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(S[5]C[5]){2|C<3>,3|H<1>}	122.8363	1.117	3	122.8363	1.247	3	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(S[5]C[5]){2|H<1>,3|C<3>}	124.3765	0.429	2	124.3765	0.184	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	126.2030	0.445	3	125.0091	2.358	10	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	125.5225	0.026	2	125.0091	2.358	10	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	125.7930	1.051	2	125.0091	2.358	10	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(S[5]C[5]){2|H<1>,3|C<3>}	122.9503	0.698	3	125.0091	2.358	10	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(S[5]C[5]){1|H<1>,3|C<3>}	123.4827	0.512	3	123.4827	0.262	3	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|H<1>,3|C<3>}	123.6411	0.775	7	123.6411	0.601	7	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(S[5]C[5]){1|H<1>,3|C<3>}	123.9310	0.000	1	123.9310	0.000	1	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|C<3>,3|H<1>}	128.5080	0.216	2	128.4597	0.046	4	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|C<3>,3|H<1>}	128.4115	0.284	2	128.4597	0.046	4	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(S[5]C[5]){2|C<3>,3|H<1>}	128.7120	0.335	2	128.7120	0.112	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(S[5]C[5]){2|H<1>,3|C<3>}	127.4447	1.676	4	127.4447	2.809	4	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(S[5]C[5]){1|H<1>,3|C<3>}	123.2846	0.544	7	123.2846	0.296	7	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(S[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	123.1650	0.000	1	123.1650	0.000	1	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(S[5]C[5]){1|H<1>,3|C<3>}	123.3807	0.567	3	123.3807	0.321	3	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(S[5]C[5]){2|C<3>,3|H<1>}	129.6620	0.529	2	129.6620	0.280	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	123.9970	0.000	1	123.9970	0.000	1	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	123.1980	0.000	1	122.8410	0.255	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	122.4840	0.000	1	122.8410	0.255	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	123.2430	0.000	1	122.9263	0.078	3	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(S[5]C[5]){2|C<3>,3|H<1>}	122.7680	0.074	2	122.9263	0.078	3	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(S[5]C[5])	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(S[5]C[5]){2|H<1>,3|C<3>}	124.7680	0.851	2	124.7680	0.725	2	124.7698	4.845	57	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	124.7830	0.373	2	124.7830	0.139	2	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	124.7270	0.000	1	124.7270	0.000	1	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	124.5210	0.000	1	126.2450	6.037	5	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	122.7770	0.000	1	126.2450	6.037	5	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	128.0235	0.388	2	126.2450	6.037	5	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	127.8800	0.000	1	126.2450	6.037	5	125.6898	4.057	8	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	123.9165	0.476	2	123.9165	0.226	2	123.7093	1.277	10	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.3050	0.000	1	124.3050	0.000	1	123.7093	1.277	10	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	123.8650	0.819	2	123.8650	0.670	2	123.7093	1.277	10	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	120.8140	0.000	1	120.8140	0.000	1	123.7093	1.277	10	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	124.1028	0.606	4	124.1028	0.367	4	123.7093	1.277	10	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|Re<6>,1|H<1>,2|C<3>}	121.5953	0.489	3	121.5953	0.239	3	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5])	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	130.9490	0.503	2	130.9490	0.253	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	122.2850	0.000	1	121.3875	1.611	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5])	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]N[5]){2|H<1>,3|C<3>}	120.4900	0.000	1	121.3875	1.611	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	123.1812	0.475	5	123.1812	0.225	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){2|H<1>,3|C<3>}	130.1550	0.444	3	127.6426	12.186	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	123.1640	0.000	1	127.6426	12.186	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]){1|Co<6>,1|H<1>,3|C<3>}	124.5840	0.000	1	127.6426	12.186	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]S[5]Co)(N[5]S[5])	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]S[5]Co)(N[5]S[5]){1|H<1>,2|C<3>}	123.8730	0.000	1	123.8730	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.8090	0.000	1	123.8090	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	122.4303	0.442	4	123.9455	1.618	11	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|Cu<6>,1|H<1>,3|C<3>}	123.9500	0.000	1	123.9455	1.618	11	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	124.9550	0.245	6	123.9455	1.618	11	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	122.0350	0.000	1	123.6872	1.436	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<6>,1|H<1>,3|C<3>}	123.4250	0.000	1	123.6872	1.436	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	124.8555	0.189	2	123.6872	1.436	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]){1|Cu<4>,1|H<1>,3|C<3>}	123.2650	0.000	1	123.6872	1.436	5	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	123.4485	0.420	4	123.0684	1.145	7	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	124.2130	0.000	1	123.0684	1.145	7	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	121.7360	0.950	2	123.0684	1.145	7	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	122.6350	0.000	1	122.7520	0.027	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]){2|H<1>,3|C<3>}	122.8690	0.000	1	122.7520	0.027	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5])	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	123.7805	0.605	2	123.7805	0.366	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	123.5240	0.000	1	123.5240	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	124.4830	0.000	1	124.4830	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[5](C[6]C[6]N[6])(N[5]S[5]Mn)(N[5]S[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]S[5]Mn)(N[5]S[5]){1|H<1>,2|C<3>}	122.1180	0.000	1	122.1180	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	123.2076	1.022	9	123.0335	0.805	13	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	122.7625	0.432	2	123.0335	0.805	13	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5])	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,3|C<3>}	122.5215	0.411	2	123.0335	0.805	13	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	123.6425	0.066	2	123.6425	0.004	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	122.9410	0.000	1	122.9410	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]N[5]){1|Ni<6>,1|H<1>,2|C<3>}	123.2120	0.099	2	123.2120	0.010	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]S[5]Ni)(N[5]S[5])	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]S[5]Ni)(N[5]S[5]){1|H<1>,2|C<3>}	121.7550	0.000	1	121.7550	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]C[5])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]C[5]){2|H<1>,3|C<3>}	123.2970	0.659	2	123.2970	0.434	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	124.4490	0.000	1	124.4490	0.000	1	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	124.0363	0.604	3	123.7152	0.656	4	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]){2|H<1>,3|C<3>}	122.7520	0.000	1	123.7152	0.656	4	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	123.6700	0.000	1	123.8645	0.076	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-2:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]N[5]){1|Zn<6>,1|H<1>,2|C<3>}	124.0590	0.000	1	123.8645	0.076	2	123.7564	4.227	77	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5])	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Co<4>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	122.3940	0.615	2	122.3940	0.378	2	121.9167	2.727	6	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5])	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	122.2280	3.364	2	122.2280	11.319	2	121.9167	2.727	6	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5])	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Mn<6>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(O[5]C[5]){2|C<3>,5|H<1>}	120.9780	0.000	1	120.9780	0.000	1	121.9167	2.727	6	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O[5]-2:	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5])	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(O[5]C[5]){3|C<3>,4|H<1>}	121.2780	0.000	1	121.2780	0.000	1	121.9167	2.727	6	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	129.2900	0.000	1	129.2900	0.000	1	124.7810	15.304	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a])	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<3>,1|O<2>,2|C<3>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	122.5265	0.334	2	122.5265	0.112	2	124.7810	15.304	3	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:S[5]-2:	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(S[5]C[5,6a])	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<4>,1|N<3>,1|S<2>,2|C<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(S[5]C[5,6a]){1|H<1>,4|C<3>}	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	125.0812	10.312	406	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	121.4070	0.904	2	121.4070	0.817	2	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	122.3902	0.166	6	122.3902	0.028	6	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	122.0510	0.000	1	122.0510	0.000	1	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{3|N<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(C[6]C[6]2){1|Co<6>,2|C<3>,3|H<1>}	121.0865	0.561	6	121.0865	0.315	6	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	122.7760	0.590	2	122.7760	0.348	2	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])2(H)	C[5](C[5]C[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])2(H){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]H)2(C[6]C[6]2){1|C<2>,1|C<3>,4|H<1>}	121.9610	0.049	2	121.9610	0.002	2	121.8526	0.572	19	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.2620	0.000	1	120.0550	0.294	3	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|O<1>,2|C<3>,5|H<1>}	119.9515	0.723	2	120.0550	0.294	3	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	122.7230	0.000	1	122.3745	0.243	2	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	122.0260	0.000	1	122.3745	0.243	2	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])2(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6])2(H){2|H<1>,5|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	120.7345	0.049	2	120.7345	0.002	2	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	120.6510	0.014	2	120.6510	0.000	2	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{2|C<3>,6|H<1>}	119.8655	0.094	2	119.8655	0.009	2	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.9903	1.229	6	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.9803	0.308	3	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.5050	1.046	3	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.5330	0.553	4	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.9345	2.102	2	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	122.2345	2.990	2	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.5015	0.192	2	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.7615	0.310	2	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	121.3620	1.611	2	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	120.9453	0.882	4	121.1300	1.193	30	121.0077	1.134	41	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	121.4838	1.429	4	121.4838	2.042	4	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5]Rh)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[5](N[5]C[5]Rh)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	121.9160	0.611	2	121.9160	0.373	2	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	123.8598	0.202	4	123.8598	0.041	4	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(C[6]C[6]2){2|H<1>,4|C<3>}	120.7110	3.765	2	120.7110	14.172	2	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){2|H<1>,4|C<3>}	121.1755	0.779	2	120.4916	4.666	10	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){2|H<1>,4|C<3>}	120.3206	2.397	8	120.4916	4.666	10	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){4|H<1>,6|C<3>}	123.5082	1.032	12	123.5082	1.066	12	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[5](N[5]C[6a]C[5])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|H<1>,2|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[6]C[6]2){6|C<3>,6|H<1>}	123.1750	1.030	2	123.1750	1.060	2	122.2220	4.138	36	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O)	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(C[6]C[6]2)(N[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	120.9410	0.000	1	120.9410	0.000	1	120.9410	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	118.9770	0.000	1	119.3950	0.163	3	119.3950	0.163	3	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[6]C[6]2)(N[5]C[5]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]H)2{1|O<1>,2|C<3>,5|H<1>}	119.6040	0.255	2	119.3950	0.163	3	119.3950	0.163	3	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Cd)(H)	C[5](C[5]N[5]H)2(C[6]C[6]2)	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cd)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	119.0500	0.662	2	119.0500	0.438	2	119.0500	0.438	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	119.8425	0.237	2	119.8425	0.056	2	118.8187	1.486	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	117.4710	0.000	1	117.7950	0.210	2	118.8187	1.486	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H)	C[5](C[6]C[6]2)(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]2)(N[5]C[5]O)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	118.1190	0.000	1	117.7950	0.210	2	118.8187	1.486	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[5](N[5]C[5,6a]H)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	120.3925	0.814	4	120.3925	0.662	4	120.0653	0.654	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Rh)(H)	C[5](N[5]C[5]Rh)2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]Rh)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5]Rh)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	119.4110	0.038	2	119.4110	0.001	2	120.0653	0.654	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	119.1375	0.514	2	119.1375	0.264	2	119.3937	0.183	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	119.6500	0.144	2	119.6500	0.021	2	119.3937	0.183	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6,6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(C[6]C[6,6a]H)(N[6]C[6]Pd){1|N<3>,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>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	124.3480	0.000	1	124.3480	0.000	1	124.3480	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	121.3200	0.000	1	121.3200	0.000	1	123.0045	5.675	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt){1|C<4>,3|H<1>,5|C<3>}	124.6890	0.000	1	124.6890	0.000	1	123.0045	5.675	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|C<2>,1|N<3>,5|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]C)(C[5]N[5]O){1|H<1>,1|N<3>,3|C<3>}	122.0750	0.184	2	122.0750	0.034	2	122.0750	0.034	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	122.6325	0.125	2	122.6325	0.016	2	123.0685	0.259	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]Cl)(N[5]N[5]V)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]Cl)(N[5]N[5]V){1|C<4>,2|C<3>,2|H<1>}	123.5240	0.000	1	123.5240	0.000	1	123.0685	0.259	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]N[5]V)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]H)(N[5]N[5]V){2|C<3>,3|H<1>}	123.4850	0.000	1	123.4850	0.000	1	123.0685	0.259	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5,6a]H)2{2|H<1>,4|C<3>}	122.7030	0.000	1	122.7030	0.000	1	122.4267	0.743	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.2335	1.438	2	122.3347	1.064	3	122.4267	0.743	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.5370	0.000	1	122.3347	1.064	3	122.4267	0.743	4	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){2|H<1>,5|C<3>}	126.0250	0.235	2	126.0250	0.055	2	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Co){2|H<1>,4|C<3>}	124.0070	0.000	1	124.0070	0.000	1	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cu){2|H<1>,5|C<3>}	125.6860	0.021	2	125.6860	0.000	2	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	124.8010	0.000	1	124.8010	0.000	1	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	124.5787	0.717	3	124.5787	0.514	3	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){1|C<4>,2|H<1>,4|C<3>}	125.7150	0.000	1	125.5350	0.065	2	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Pt){2|H<1>,5|C<3>}	125.3550	0.000	1	125.5350	0.065	2	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Re){2|H<1>,5|C<3>}	125.2610	0.000	1	125.2610	0.000	1	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Ru){2|H<1>,5|C<3>}	125.4535	0.487	2	125.4535	0.237	2	125.2289	0.485	14	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	125.4080	0.000	1	125.4080	0.000	1	125.0757	8.099	7	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	119.0770	0.000	1	119.0770	0.000	1	125.0757	8.099	7	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	124.8140	0.000	1	126.2090	1.519	5	125.0757	8.099	7	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	127.1023	0.207	3	126.2090	1.519	5	125.0757	8.099	7	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	124.9240	0.000	1	126.2090	1.519	5	125.0757	8.099	7	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]C){2|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	122.4180	0.000	1	122.4180	0.000	1	124.9433	2.745	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]C[5]Cd){1|H<1>,1|N<3>,5|C<3>}	124.0330	0.000	1	124.0330	0.000	1	124.9433	2.745	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|N<2>,2|H<1>,4|C<3>}	125.8790	0.000	1	125.8790	0.000	1	124.9433	2.745	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os)	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os){1|N<2>,2|H<1>,4|C<3>}	124.5270	0.000	1	124.5270	0.000	1	124.9433	2.745	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]N[6])(N[5]O[5]Ru){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	126.4015	1.104	2	126.4015	1.218	2	124.9433	2.745	6	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	128.2500	0.000	1	128.5673	0.123	3	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ir)(N[5]N[5]C){1|H<1>,3|C<3>}	128.7260	0.307	2	128.5673	0.123	3	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ni)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	128.7050	0.000	1	128.7050	0.000	1	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|H<1>,3|C<3>}	127.6970	0.096	2	126.7550	28.429	6	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	132.1630	1.055	2	126.7550	28.429	6	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Pd)(N[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	120.4050	0.332	2	126.7550	28.429	6	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Re)(N[5]N[5]C){1|H<1>,3|C<3>}	127.4700	0.000	1	127.4700	0.000	1	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	127.3070	0.000	1	128.0288	0.340	5	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	128.1457	0.575	3	128.0288	0.340	5	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]N[5]Ru)(N[5]N[5]C){1|H<1>,3|C<3>}	128.4000	0.000	1	128.0288	0.340	5	127.6594	10.196	16	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	121.3016	0.606	10	121.1274	0.495	12	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	120.2565	0.566	2	121.1274	0.495	12	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	122.2960	0.000	1	122.5613	0.279	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){2|C<3>,3|H<1>}	122.4222	0.334	6	122.5613	0.279	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(C[5]C[5]H){2|C<3>,3|H<1>}	123.6610	0.000	1	122.5613	0.279	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	123.1810	0.547	3	123.8918	1.116	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){1|Co<6>,1|H<1>,3|C<3>}	124.7610	0.000	1	123.8918	1.116	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]C[5]H){2|C<3>,3|H<1>}	125.1550	0.000	1	123.8918	1.116	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(C[5]N[5]H){1|H<1>,3|C<3>}	122.7820	0.000	1	122.7820	0.000	1	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]S[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(C[5]S[5]H){1|H<1>,1|N<3>,2|C<3>}	124.1350	0.683	2	124.1350	0.467	2	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	121.7185	0.121	2	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	123.3270	0.169	3	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	121.2783	0.397	7	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|C<2>,1|H<1>,2|C<3>}	122.8360	0.000	1	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	123.0245	1.455	8	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	122.3943	0.476	3	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<4>,1|H<1>,3|C<3>}	123.9325	0.779	2	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,1|H<1>,3|C<3>}	123.4497	0.607	12	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	124.4562	0.401	4	122.9445	1.450	42	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	123.5037	0.254	3	123.7870	0.612	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.5790	0.268	4	123.7870	0.612	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,3|C<3>}	123.0143	0.557	3	123.7870	0.612	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Eu)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Eu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	122.0345	0.519	4	122.0345	0.270	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	129.4077	0.418	3	129.4077	0.175	3	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]S[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(C[5]S[5]H){1|C<4>,1|H<1>,2|C<3>}	127.4540	0.338	4	127.4540	0.115	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	122.8153	0.497	9	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	123.5990	0.147	2	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	124.5660	0.010	2	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|Fe<6>,1|H<1>,3|C<3>}	123.0623	0.463	10	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	124.3600	0.000	1	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	124.0385	0.494	2	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	124.5260	0.000	1	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	124.4140	0.000	1	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	123.8216	0.557	11	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	127.2174	1.666	12	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	126.3181	1.456	99	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]C[5]H){2|C<3>,3|H<1>}	127.4428	2.086	8	125.7427	3.634	158	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.1747	1.204	6	124.1747	1.450	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.7705	0.117	2	124.7705	0.014	2	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	123.8079	0.721	8	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|Pd<5>,1|C<4>,1|H<1>,2|C<3>}	126.1310	0.000	1	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	123.1765	2.214	4	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	123.5472	0.541	5	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|Ir<8>,1|H<1>,3|C<3>}	124.7240	0.380	2	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	128.2055	0.175	2	124.2225	3.028	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.0570	0.433	6	124.1475	0.188	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	124.7170	0.000	1	124.1475	0.188	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	124.1210	0.000	1	124.1475	0.188	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Li)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Li)(C[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	121.7640	0.000	1	121.7640	0.000	1	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	122.7720	0.000	1	122.8600	0.242	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	122.4350	0.000	1	122.8600	0.242	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(C[5]C[5]H){2|C<3>,3|H<1>}	122.9241	0.528	8	122.8600	0.242	10	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	123.0360	0.768	2	123.2723	0.340	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){2|C<3>,3|H<1>}	123.1233	0.207	3	123.2723	0.340	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mo)(C[5]C[5]H){2|C<3>,3|H<1>}	124.1920	0.000	1	123.2723	0.340	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Nd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Nd<12>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Nd)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	120.6260	0.238	3	120.6260	0.056	3	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	124.0330	0.000	1	123.2899	0.481	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<5>,1|H<1>,3|C<3>}	124.0450	0.000	1	123.2899	0.481	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|H<1>,3|C<3>}	122.9260	0.000	1	123.2899	0.481	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<4>,1|H<1>,3|C<3>}	122.8800	0.215	2	123.2899	0.481	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(C[5]C[5]H){2|C<3>,3|H<1>}	123.1850	0.921	3	123.2899	0.481	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	124.0440	0.215	2	124.3757	0.168	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	124.8000	0.000	1	124.3757	0.168	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	124.6150	0.000	1	124.3757	0.168	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.5443	0.456	3	125.4945	4.012	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|H<1>,3|C<3>}	124.9055	0.112	2	125.4945	4.012	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pd)(C[5]N[5]H){1|H<1>,3|C<3>}	129.5230	0.000	1	125.4945	4.012	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]H){2|C<3>,3|H<1>}	128.8870	0.000	1	128.8870	0.000	1	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|C<3>,3|H<1>}	123.7620	0.000	1	127.6419	2.666	21	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|H<1>,3|C<3>}	123.8830	0.000	1	127.6419	2.666	21	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	128.6376	0.962	8	127.6419	2.666	21	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	128.0070	0.611	3	127.6419	2.666	21	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]C[5]H){2|C<3>,3|H<1>}	127.4641	1.090	8	127.6419	2.666	21	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	122.9545	0.120	2	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	124.9315	0.388	2	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	125.2245	1.713	2	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	127.9963	1.108	7	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	125.1895	0.342	2	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(C[5]N[5]H){1|H<1>,3|C<3>}	123.9100	0.000	1	126.0302	4.413	16	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	122.8347	0.613	3	122.9084	0.250	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){2|H<1>,3|C<3>}	123.3400	0.000	1	122.9084	0.250	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	122.6980	0.000	1	122.9084	0.250	5	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	123.6080	0.566	3	123.7362	0.793	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(C[5]N[5]H){1|H<1>,3|C<3>}	123.8643	1.270	3	123.7362	0.793	6	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	123.5570	0.000	1	125.9553	6.045	3	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|Rh<5>,1|C<4>,1|H<1>,2|C<3>}	125.8390	0.000	1	125.9553	6.045	3	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	128.4700	0.000	1	125.9553	6.045	3	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5,6]Ru)(C[5]N[5,6]H){1|H<1>,4|C<3>}	127.2095	0.083	2	127.2095	0.007	2	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	124.0039	0.489	7	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|Ru<6>,1|H<1>,3|C<3>}	123.6930	0.943	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	124.6175	0.414	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	122.5140	0.000	1	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	124.4660	0.000	1	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	124.9855	0.258	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	123.6210	0.000	1	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	127.1630	0.577	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	126.8200	1.448	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	127.5655	0.944	2	124.9235	2.568	22	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.6580	0.598	6	124.6839	0.271	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	124.5490	0.000	1	124.6839	0.271	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ru)(C[5]N[5]H){1|H<1>,3|C<3>}	124.9740	0.000	1	124.6839	0.271	8	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	122.5925	0.028	2	122.8888	0.120	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Sm)(C[5]C[5]H){2|H<1>,3|C<3>}	123.1850	0.096	2	122.8888	0.120	4	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	122.5880	0.000	1	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	123.0375	0.287	12	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	123.1910	0.378	6	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	123.3290	0.366	3	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	124.0000	0.000	1	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	123.3763	0.256	3	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	123.8970	0.359	5	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(C[5]C[5]H){2|C<3>,3|H<1>}	123.6710	0.000	1	123.2955	0.206	32	124.6895	4.636	445	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Ru)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<3>,3|C<3>}	C[5](C[6]C[6]N[6])(S[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	119.8690	0.000	1	119.8690	0.000	1	120.3050	1.780	5	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	120.7660	0.000	1	121.1403	0.276	3	120.3050	1.780	5	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){2|C<3>,3|H<1>}	120.9140	0.000	1	121.1403	0.276	3	120.3050	1.780	5	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[5](C[6]C[6]N[6])(S[5]C[5]Cu)(C[5]C[5]H){2|C<3>,3|H<1>}	121.7410	0.000	1	121.1403	0.276	3	120.3050	1.780	5	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[5]-3:C[5]-3:	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(S[5]C[5]Yb)(C[5]C[5]H)	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,1|S<3>,2|C<3>}	C[5](C[6]C[6]N[6])(S[5]C[5]Yb)(C[5]C[5]H){2|C<3>,3|H<1>}	118.2350	0.000	1	118.2350	0.000	1	120.3050	1.780	5	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd){1|C<4>,3|H<1>,4|C<3>}	126.1900	0.000	1	126.3460	0.736	4	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Cd){1|C<4>,2|H<1>,4|C<3>}	126.3980	1.043	3	126.3460	0.736	4	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,2|H<1>,4|C<3>}	126.9830	0.000	1	127.0600	0.134	3	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,2|H<1>,4|C<3>}	127.0985	0.508	2	127.0600	0.134	3	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){1|C<4>,2|H<1>,4|C<3>}	126.6130	0.349	2	126.8882	0.965	5	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){2|H<1>,5|C<3>}	127.7250	0.000	1	126.8882	0.965	5	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Fe){1|C<4>,2|H<1>,4|C<3>}	126.7450	1.687	2	126.8882	0.965	5	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]N[5]Fe){2|H<1>,4|C<3>}	126.1760	0.000	1	126.1760	0.000	1	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn){1|C<4>,2|H<1>,4|C<3>}	127.3000	0.000	1	126.5892	1.039	4	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[6]C[6]N[6])(N[5]C[5]Zn){1|C<4>,2|H<1>,4|C<3>}	126.3523	1.106	3	126.5892	1.039	4	126.6787	0.677	17	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6a]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	119.9290	0.000	1	119.9290	0.000	1	119.8755	0.006	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6a]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	119.8220	0.000	1	119.8220	0.000	1	119.8755	0.006	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Co<6>,1|H<1>,4|C<3>}	123.5700	0.931	2	123.5700	0.866	2	123.6217	0.441	3	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:C[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(C[5]O[5]O){1|Zn<4>,1|H<1>,4|C<3>}	123.7250	0.000	1	123.7250	0.000	1	123.6217	0.441	3	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	S[5]-3:C[5]-3:C[6]-3:	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6])	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[5,5]-3:C[6]-3:N[5]-3:	C[6](C[5]N[5,5]N[5])(N[6]C[6]Zn)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6]Zn)(H)	C[5](N[5,5]C[5,5]N[5])(C[6]C[6]N[6])(N[5]N[5]Zn)	C[6](C[5]N[5,5]N[5])(N[6]C[6]Zn)(C[6]N[6]H){1|Zn<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(N[6]C[6]Zn)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5,5]C[5,5]N[5])(C[6]C[6]N[6])(N[5]N[5]Zn){1|Zn<6>,1|H<1>,2|C<3>,2|N<3>}	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	122.9240	0.000	1	122.9240	0.000	1	122.9240	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[5](N[5]C[5,6a]Pt)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O){2|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[5](N[5]C[5,6a]Pt)2(C[6]C[6]2){1|H<1>,2|O<2>,3|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]2){1|C<2>,1|H<1>,5|C<3>}	126.5330	0.000	1	126.5330	0.000	1	126.5100	0.001	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(N[5]C[5,6a]H)(C[6]C[6]2){1|H<1>,4|C<3>}	126.4870	0.000	1	126.4870	0.000	1	126.5100	0.001	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6]){1|Co<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	120.1945	0.674	2	120.1945	0.454	2	120.1945	0.454	2	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[5]-3:	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C)	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,1|H<1>,3|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(N[5]C[5]N)	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ag)(N[5]C[5]N){1|Ag<4>,1|H<1>,3|C<3>}	123.7860	0.048	2	123.7860	0.002	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]C[5]C)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cd)(N[5]C[5]C){1|H<1>,4|C<3>}	126.0740	0.000	1	126.0740	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(N[5]C[5]N)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cd)(N[5]C[5]N){1|H<1>,3|C<3>}	124.7610	0.171	2	124.7610	0.029	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]O)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	124.9500	0.000	1	124.9500	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]N[5]H){1|H<1>,3|C<3>}	125.0385	0.855	2	125.0385	0.731	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Co<6>,1|H<1>,2|C<3>,4|C<4>}	122.3010	0.000	1	122.3010	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H){1|H<1>,3|C<3>}	125.9610	0.000	1	127.5680	5.165	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]H){1|H<1>,3|C<3>}	129.1750	0.000	1	127.5680	5.165	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Co)(N[5]C[5]N){1|H<1>,3|C<3>}	126.0191	0.338	15	126.0191	0.114	15	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	126.9740	0.000	1	126.0994	0.772	7	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	126.4910	1.458	2	126.0994	0.772	7	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]C){2|C<3>,3|H<1>}	125.6850	0.500	4	126.0994	0.772	7	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H){3|H<1>,4|C<3>}	123.5390	0.000	1	124.8210	3.287	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,3|H<1>}	126.1030	0.000	1	124.8210	3.287	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]Cu){1|H<1>,4|C<3>}	121.4535	0.862	2	121.8553	0.856	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]Cu){1|H<1>,3|C<3>}	122.6590	0.000	1	121.8553	0.856	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Cu)(N[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	123.9585	0.006	2	123.9585	0.000	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]H){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	122.6225	0.668	4	122.6225	0.446	4	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N){1|H<1>,3|C<3>}	125.7660	0.000	1	125.7955	0.002	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]C[5]N){1|Cu<5>,2|C<3>,2|H<1>}	125.8250	0.000	1	125.7955	0.002	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Cu)(N[5]N[5]H){1|H<1>,2|C<3>}	123.6960	0.050	3	123.6960	0.003	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]C[5]H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]C[5]H){2|C<3>,3|H<1>}	124.0440	0.000	1	124.0440	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Fe)(N[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	124.9380	0.000	1	124.9380	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N){1|H<1>,3|C<3>}	125.9543	0.801	68	125.9798	0.608	74	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(N[5]C[5]N){1|H<1>,3|C<3>}	126.2687	0.408	6	125.9798	0.608	74	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Hg)(N[5]C[5]N)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Hg)(N[5]C[5]N){1|H<1>,3|C<3>}	123.7150	0.000	1	123.7150	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	126.4150	0.000	1	126.4150	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){2|C<3>,5|H<1>}	125.4080	0.000	1	125.4817	1.257	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){1|H<1>,4|C<3>}	124.3990	0.000	1	125.4817	1.257	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]C[5]H){2|C<3>,3|H<1>}	126.6380	0.000	1	125.4817	1.257	3	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ir)(N[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	129.0490	0.000	1	129.0490	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]C[5]C){1|H<1>,3|C<3>}	127.5550	0.000	1	127.5550	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(N[5]N[5]C){1|H<1>,2|C<3>}	125.8700	0.000	1	125.8700	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,5|H<1>}	124.9150	0.426	2	126.1854	0.731	10	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,5|H<1>}	126.4250	0.839	2	126.1854	0.731	10	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){2|C<3>,3|H<1>}	126.5290	0.573	6	126.1854	0.731	10	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]O)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	123.7070	0.000	1	123.7070	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Mn<6>,1|H<1>,2|C<3>,4|C<4>}	122.0800	0.000	1	122.0800	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Mn)(N[5]C[5]N){1|H<1>,3|C<3>}	125.0985	0.299	2	125.0985	0.089	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	125.3670	0.000	1	126.1814	4.931	8	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	123.3385	0.702	2	126.1814	4.931	8	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	124.8430	0.000	1	126.1814	4.931	8	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ni)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	128.1410	0.121	4	126.1814	4.931	8	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|Ni<6>,1|H<1>,2|C<3>,4|C<4>}	122.2330	0.000	1	122.2330	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]N)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ni)(N[5]C[5]N){1|H<1>,3|C<3>}	125.3500	0.000	1	125.3500	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	120.2250	0.000	1	120.2250	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]C){2|C<3>,3|H<1>}	127.7830	0.000	1	127.7830	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]O)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	126.3365	0.019	2	126.3365	0.000	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]S)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pd)(N[5]C[5]S){3|H<1>,4|C<3>}	125.7350	0.000	1	125.7350	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]H)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]H){2|C<3>,3|H<1>}	128.8900	1.098	4	128.8900	1.206	4	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]O)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	126.2230	0.000	1	126.2230	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	126.9810	0.000	1	126.9810	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	125.0150	0.709	2	125.9395	1.324	4	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){1|H<1>,4|C<3>}	127.0250	0.000	1	125.9395	1.324	4	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Re)(N[5]C[5]C){2|C<3>,3|H<1>}	126.7030	0.000	1	125.9395	1.324	4	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]C){3|H<1>,4|C<3>}	127.9730	0.000	1	127.9730	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Ru)(N[5]C[5]H){3|H<1>,4|C<3>}	124.7540	0.000	1	124.7540	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]C){1|H<1>,4|C<3>}	128.0800	0.000	1	128.0800	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	123.9090	0.000	1	125.5954	0.554	9	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]C[5]O){1|H<1>,2|C<3>,4|C<4>}	125.8063	0.420	8	125.5954	0.554	9	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Zn)(N[5]N[5]H){1|H<1>,3|C<3>}	124.6420	0.000	1	124.6420	0.000	1	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N){1|H<1>,3|C<3>}	125.8350	0.000	1	125.7470	0.015	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Zn)(N[5]C[5]N){1|H<1>,3|C<3>}	125.6590	0.000	1	125.7470	0.015	2	125.7035	2.182	187	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	122.8950	0.000	1	122.8950	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	122.7530	0.000	1	122.7530	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	126.5880	0.000	1	126.5880	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	116.0530	0.000	1	116.0530	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	121.3340	0.000	1	121.3340	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	126.0550	1.137	2	126.0550	1.293	2	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.5590	0.938	2	125.8033	10.429	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|Zn<5>,1|H<1>,4|C<3>}	123.0475	0.175	2	125.8033	10.429	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	125.4570	0.000	1	125.4570	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	126.1627	0.322	4	125.2007	2.284	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.2580	0.000	1	125.2007	2.284	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cd)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.2950	0.000	1	125.2007	2.284	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.7630	0.548	3	128.7630	0.300	3	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	124.2040	0.000	1	126.1913	3.140	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.2730	0.480	3	126.1913	3.140	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.6570	0.991	3	126.1913	3.140	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.8455	0.033	2	126.1913	3.140	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]Co)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	125.2280	0.000	1	126.1913	3.140	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Co)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Co){1|C<4>,4|C<3>,4|H<1>}	126.0953	1.352	3	126.0953	1.829	3	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Co)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Co){1|H<1>,5|C<3>}	125.4470	0.000	1	125.4470	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.9140	0.000	1	129.1228	0.111	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.1750	0.361	4	129.1228	0.111	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.6590	0.000	1	127.6590	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	129.3950	0.000	1	125.0554	5.957	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.9130	0.353	3	125.0554	5.957	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	124.1430	0.000	1	125.0554	5.957	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|C<4>,1|H<1>,4|C<3>}	127.2280	0.000	1	126.3070	0.867	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|C<4>,1|H<1>,4|C<3>}	126.9880	0.000	1	126.3070	0.867	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Cu){1|Cu<5>,1|C<4>,1|H<1>,4|C<3>}	125.5060	0.066	2	126.3070	0.867	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|H<1>,5|C<3>}	124.1880	0.000	1	125.0280	0.736	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|Cu<4>,1|H<1>,5|C<3>}	125.0215	1.020	2	125.0280	0.736	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Cu){1|H<1>,5|C<3>}	125.3123	0.920	3	125.0280	0.736	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.6620	0.000	1	129.0028	3.952	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.0470	0.435	4	129.0028	3.952	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	125.1670	0.000	1	129.0028	3.952	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.5040	0.000	1	129.8048	1.887	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Fe)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	130.3800	0.557	4	129.8048	1.887	5	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|H<1>,5|C<3>}	126.2398	0.702	6	125.8671	0.859	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|Fe<6>,1|H<1>,5|C<3>}	124.7490	0.461	2	125.8671	0.859	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|H<1>,5|C<3>}	125.4000	0.346	2	125.3612	0.096	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]N[5a]C[5])(C[6]C[6]N[6])(N[5]N[5]Fe){1|Fe<6>,1|H<1>,5|C<3>}	125.3418	0.344	4	125.3612	0.096	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Hg)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	125.0160	0.000	1	125.0160	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	130.4503	0.568	6	129.4951	3.406	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	126.6295	0.576	2	129.4951	3.406	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]Ir){3|H<1>,4|C<3>}	126.5330	0.000	1	126.5330	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|H<1>,5|C<3>}	125.3988	0.656	4	125.3988	0.431	4	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	125.8825	0.647	2	125.8825	0.419	2	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.3000	0.000	1	123.8487	0.446	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.5480	0.000	1	123.8487	0.446	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.9680	0.000	1	123.8487	0.446	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.8055	0.795	4	123.8487	0.446	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Mn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	124.7520	0.000	1	123.8487	0.446	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Mn)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Mn){1|C<4>,1|H<1>,4|C<3>}	125.6780	0.000	1	125.6780	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.2763	0.368	3	128.4614	3.354	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.9390	0.667	4	128.4614	3.354	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	124.1060	0.000	1	128.4614	3.354	8	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	128.0668	0.538	8	127.3722	1.850	12	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	125.9830	1.500	4	127.3722	1.850	12	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	129.4183	2.019	6	128.4108	2.907	15	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|C<4>,2|N<3>}	C[5](N[5]C[5,6a]Os)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.7391	1.127	9	128.4108	2.907	15	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Pt)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.1690	0.204	3	127.1690	0.041	3	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.1767	0.547	3	127.1767	0.299	3	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Re)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	124.3500	0.000	1	124.3500	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Re)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]N[5]Re){2|H<1>,4|C<3>}	125.5880	0.000	1	125.5880	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.6300	0.000	1	127.6300	0.000	1	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	122.2220	0.000	1	124.3605	3.827	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	126.9320	0.000	1	124.3605	3.827	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	123.2860	0.000	1	124.3605	3.827	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	122.4710	0.000	1	124.3605	3.827	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Ru)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	125.6260	0.141	2	124.3605	3.827	6	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Sn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	126.2000	0.290	2	126.2000	0.084	2	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	127.2450	0.000	1	127.3596	1.204	7	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	128.1005	0.542	4	127.3596	1.204	7	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	125.7430	0.000	1	127.3596	1.204	7	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]C){1|H<1>,4|C<3>}	126.1270	0.000	1	127.3596	1.204	7	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.4020	0.000	1	127.1307	0.115	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.6440	0.000	1	127.1307	0.115	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Zn)(C[6]C[6]N[6])(N[5]C[5,6a]H){1|H<1>,4|C<3>}	127.0326	0.298	8	127.1307	0.115	10	126.6930	5.230	175	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Al)2(C[6]C[6]N[6])	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Al)2(C[6]C[6]N[6]){1|H<1>,4|C<3>}	127.0990	0.000	1	126.4290	0.898	2	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Al)2(C[6]C[6]N[6])	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Al)2(C[6]C[6]N[6]){1|H<1>,4|C<3>}	125.7590	0.000	1	126.4290	0.898	2	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6])	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Cu)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	124.3310	0.000	1	124.3310	0.000	1	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6])	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Ir)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	126.0693	0.895	3	126.0693	0.802	3	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	123.2760	0.000	1	123.2760	0.000	1	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]Au)(N[5]C[5,6a]Re)(C[6]C[6]N[6])	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|Au<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]Au)(N[5]C[5,6a]Re)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	126.9280	0.000	1	126.9280	0.000	1	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:C[6]-3:	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6])	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]Zn)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	128.2525	0.401	2	128.2525	0.161	2	126.2106	2.646	10	124.8475	6.620	1027	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2{2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	121.3000	1.754	2	121.3000	3.075	2	121.3000	3.075	2	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	122.0530	0.376	2	122.0530	0.142	2	122.0530	0.142	2	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6]-3:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	121.4540	0.447	2	121.4540	0.200	2	121.4540	0.200	2	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[5]-4:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	124.3605	3.010	2	124.3605	9.061	2	124.1803	4.106	6	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[5]-4:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<3>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	123.9165	1.949	2	123.9165	3.801	2	124.1803	4.106	6	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[5]-4:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	124.2640	2.729	2	124.2640	7.450	2	124.1803	4.106	6	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	120.3840	0.000	1	120.3840	0.000	1	121.0118	3.298	16	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]S)(C[6]C[6]N[6]){1|Cu<4>,2|C<4>,3|H<1>,5|C<3>}	120.2623	0.918	12	120.2623	0.842	12	121.0118	3.298	16	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	125.3670	0.000	1	125.3670	0.000	1	121.0118	3.298	16	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|P<4>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	123.6445	0.483	2	123.6445	0.233	2	121.0118	3.298	16	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:N[5]-3:	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]HH)(N[5]C[5]Rh)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]HH)(N[5]C[5]Rh){2|C<3>,5|H<1>}	128.4935	0.285	2	128.4935	0.081	2	128.4935	0.081	2	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C)	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,3|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]RuH)(C[5]O[5]C){1|C<4>,1|H<1>,2|C<3>}	121.1260	0.000	1	121.1260	0.000	1	125.6685	9.219	4	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	126.9150	0.000	1	127.1827	0.073	3	125.6685	9.219	4	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]IrC)(C[5]C[5]C){1|H<1>,2|C<3>,2|C<4>}	127.3165	0.196	2	127.1827	0.073	3	125.6685	9.219	4	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:N[5]-3:	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C)	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[6]C[6]N[6])(C[5]C[5]Pd2)(N[5]C[5]C){2|C<3>,3|H<1>}	126.6630	0.000	1	126.6630	0.000	1	126.6630	0.000	1	122.7774	8.401	35	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2)	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[6]C[6]2){4|C<3>,5|C<4>,7|H<1>}	124.9055	3.169	2	124.9055	10.040	2	124.9055	10.040	2	124.2163	3.864	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	123.0195	0.644	2	123.0195	0.415	2	123.0195	0.415	2	124.2163	3.864	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O){1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]N[5,5]C[6a]O)(C[5]C[5,5]C)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	122.2340	0.000	1	122.2340	0.000	1	122.2340	0.000	1	124.2163	3.864	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6])	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]Ru)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	125.7150	0.703	2	125.7150	0.494	2	125.7150	0.494	2	124.2163	3.864	7	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:1:	5:3:3:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	P[5]-5:C[5,6]-3:C[6]-3:	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6])	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<5>,2|C<3>}	C[5](P[5]C[6a]C[5]Cu2)(C[5,6]C[5,6]C[6])(C[6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	124.9605	0.338	4	124.9605	0.114	4	124.9605	0.114	4	124.9605	0.114	4	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:2:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	N[5]-2:N[5]-2:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH)	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|C<4>,1|O<2>,4|C<3>}	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[5]-3:	C[6]-3:N[6]-3:C[5]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]O)2	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	121.4930	0.215	2	121.4930	0.046	2	121.4930	0.046	2	125.2950	8.696	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Co)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>}	127.1160	0.038	2	127.1160	0.001	2	127.1960	0.023	4	125.2950	8.696	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[5]-3:N[5]-3:	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]Mn)(N[5]C[5]H){1|O<1>,2|C<4>,3|C<3>}	127.2760	0.206	2	127.2760	0.043	2	127.1960	0.023	4	125.2950	8.696	6	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:3:4:	2:2:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	N[5]-2:N[5]-2:C[6]-3:	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	C[5](N[5]C[5,6a])2(C[6]C[6]2)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5](N[5]C[5,6a])2(C[6]C[6]2){1|C<4>,1|O<2>,4|C<3>}	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:4:1:	3:2:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[5](C[6]C[6]2)(S[5]C[5])2	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[5](C[6]C[6]2)(S[5]C[5])2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	N[5,6a]-3:C[5]-3:C[6]-3:	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	118.5740	0.284	2	118.5740	0.081	2	118.5740	0.081	2	117.0060	7.416	3	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:3:	3:4:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]C)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){2|C<4>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]C)2{1|H<1>,5|C<4>}	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	117.0060	7.416	3	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[5]-3:C[6]-4:	C[5a]-3:C[6]-3:C[6]-4:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5])	C[6](C[6]C[5a]C[6])(C[5]C[5]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	C[5](C[5]C[5]H)(C[6]C[6]2)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	129.9350	0.000	1	129.9350	0.000	1	129.9350	0.000	1	129.9350	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:4:3:	3:3:1:	3:2:3:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:S[5]-2:C[6]-3:	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[5](N[5]C[5,6a]Ti)(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[5](N[5]C[5,6a]Ti)(S[5]C[5,6a])(C[6]C[6]2){1|H<1>,1|O<2>,4|C<3>}	119.6010	0.689	4	119.6010	0.475	4	119.6010	0.475	4	119.6010	0.475	4	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:4:3:	3:3:1:	3:3:2:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:O[5]-2:	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5]C[5]Li)(C[6]C[6]2)(O[5]C[5])	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5](N[5]C[5]Li)(C[6]C[6]2)(O[5]C[5]){1|Li<4>,2|C<3>,2|C<4>,3|H<1>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:4:3:	3:4:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2)	C[6](C[5]C[5,6,6]C[5])(C[6]C[6]HO)(C[6]C[6]H){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[3x6]O)(C[5]C[5,6,6]H)(C[6]C[6]2){1|Cl<1>,1|C<3>,2|H<1>,3|O<2>,5|C<4>}	124.4770	0.182	2	124.4770	0.033	2	124.4770	0.033	2	124.4770	0.033	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	3:4:3:	4:3:2:	4:3:3:	C[6]-3:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-3:O-2:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(C[5]C[5]2){1|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	124.4490	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:3:1:	3:2:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-2:N[5]-2:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	C[5](C[6]C[5,6]C[6])(N[5]C[5])2	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|N<3>,2|N<2>,3|C<3>}	C[5](C[6]C[5,6]C[6])(N[5]C[5])2{1|H<1>,1|N<3>,5|C<3>}	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:3:1:	4:4:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	120.4090	0.088	2	120.4090	0.008	2	120.4090	0.008	2	120.4090	0.008	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:4:1:	3:2:2:	C[5,6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:S[5]-2:S[5]-2:	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5](C[6]C[5,6]C[6])(S[5]C[5])2	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[5](C[6]C[5,6]C[6])(S[5]C[5])2{1|C<3>,1|O<1>,2|C<4>,5|H<1>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:4:1:	3:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	120.8400	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:4:1:	4:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[5]C[5]2)(C[6]C[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	122.7735	0.508	2	122.7735	0.258	2	122.7735	0.258	2	122.7735	0.258	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	3:4:4:	3:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(C[6]C[6]2){4|C<4>,5|H<1>}	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	4:3:1:	3:4:3:	C[5,6,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[5]-4:C[5]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]H)(C[5]C[5]2){1|C<4>,7|C<3>,8|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	119.8470	0.000	2	119.8470	0.000	2	119.8470	0.000	2	119.8470	0.000	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	0:SP2_SP2_SP2	C[6]	C[6]	C[5]	4:3:3:	4:3:1:	4:3:3:	C[6]-4:C[5]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[5]C[5]2)(C[6]C[6]H){3|C<4>,7|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	121.9635	0.360	2	121.9635	0.130	2	121.9635	0.130	2	121.9635	0.130	2	124.5355	8.614	1636	124.5117	8.688	1660
762	762	818	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[5,6,6]	4:3:3:	4:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[5,6]	3:3:3:	4:3:3:	3:3:3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:N[6]-3:O[6]-2:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6])	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6]){1|H<1>,2|B<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6]){1|S<2>,2|N<3>,4|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6,6]C[6,6]N[6])(S[5]C[5,6a]){1|O<2>,2|C<3>,2|F<1>,2|N<3>}	118.9745	0.725	2	118.9745	0.525	2	118.9745	0.525	2	118.9745	0.525	2	118.1207	1.999	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	116.3670	0.243	2	116.3670	0.059	2	116.3670	0.059	2	116.3670	0.059	2	118.1207	1.999	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[5,6]	3:3:3:	4:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	118.7190	0.000	1	119.0205	0.182	2	119.0205	0.182	2	119.0205	0.182	2	118.1207	1.999	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[5,6]	3:3:3:	4:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:S[5]-2:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[5,6](N[5,6]C[5,6a]O[6])(C[6,6]C[6,6]C[6])(S[5]C[5,6a]){1|C<4>,1|O<1>,4|C<3>}	119.3220	0.000	1	119.0205	0.182	2	119.0205	0.182	2	119.0205	0.182	2	118.1207	1.999	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6,6]	3:4:3:	3:2:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O)	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O)	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	116.4695	0.585	2	116.4695	0.342	2	116.4695	0.342	2	116.4695	0.342	2	116.0775	0.326	4	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6,6]	3:4:3:	3:3:1:	3:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Mo<10>,1|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	116.0775	0.326	4	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6,6]	C[6]	C[5,6,6]	4:3:3:	3:3:3:	3:4:4:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	115.7870	0.000	1	115.7870	0.000	1	115.7870	0.000	1	115.7870	0.000	1	116.0775	0.326	4	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	121.9865	0.142	2	121.9865	0.020	2	121.9470	0.015	3	121.8537	0.045	4	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	121.8680	0.000	1	121.8680	0.000	1	121.9470	0.015	3	121.8537	0.045	4	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H){1|N<3>,1|O<1>,2|F<1>,4|C<3>}	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	121.8537	0.045	4	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	4:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	113.8120	0.000	1	113.9340	0.030	2	113.9340	0.030	2	113.9340	0.030	2	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	4:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(O[5]C[5]){1|C<3>,2|H<1>,5|C<4>}	114.0560	0.000	1	113.9340	0.030	2	113.9340	0.030	2	113.9340	0.030	2	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	4:3:4:	3:4:3:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2900	0.000	1	121.8330	0.590	2	121.8330	0.590	2	121.8330	0.590	2	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:1:	4:3:4:	3:4:3:	C[6,6]-3:C[5,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2)(H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.3760	0.000	1	121.8330	0.590	2	121.8330	0.590	2	121.8330	0.590	2	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	122.7305	0.441	2	122.0605	0.509	6	122.0605	0.509	6	122.0605	0.509	6	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	122.0160	0.809	2	122.0605	0.509	6	122.0605	0.509	6	122.0605	0.509	6	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	121.4350	0.102	2	122.0605	0.509	6	122.0605	0.509	6	122.0605	0.509	6	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	122.3945	0.420	4	122.3945	0.176	4	122.3945	0.176	4	122.3945	0.176	4	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-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)	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[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	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>}	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>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	119.3645	0.279	2	119.3645	0.078	2	119.3645	0.078	2	119.3645	0.078	2	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:3:	4:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.5325	0.305	2	117.5325	0.093	2	117.5877	0.056	3	117.5877	0.056	3	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6,6]	C[5,6]	3:3:3:	4:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	117.6980	0.000	1	117.6980	0.000	1	117.5877	0.056	3	117.5877	0.056	3	120.5383	7.186	23	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	120.3152	0.652	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	120.5240	0.402	2	120.5240	0.161	2	120.4073	0.121	3	120.4073	0.121	3	120.3152	0.652	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H){1|S<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]S[5]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	120.1740	0.000	1	120.1740	0.000	1	120.4073	0.121	3	120.4073	0.121	3	120.3152	0.652	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6,6]	3:3:2:	3:3:1:	4:4:3:	C[5,6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	119.7000	0.000	1	120.3152	0.652	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6,6]	3:3:3:	4:3:1:	4:4:3:	C[5,6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O){3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5,6]N[5,6,6]C[6,6])(C[5,6,6]C[3x6]C[5,6]O)(C[6]C[6]C){1|O<1>,6|C<4>,6|H<1>}	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	120.3152	0.652	6	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H){1|Ga<6>,1|C<3>,1|O<2>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[3x5])(C[6]C[6]H){1|C<4>,1|H<1>,2|S<2>,3|O<2>}	120.5480	0.891	3	120.5480	0.793	3	120.2654	0.748	5	120.2654	0.748	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]O[6]H)(H){1|Ga<5>,1|C<3>,1|O<2>}	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]C[6]O[5])(S[5]Ga[5,5])(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,3|O<2>}	119.8415	0.897	2	119.8415	0.805	2	120.2654	0.748	5	120.2654	0.748	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<2>,1|C<4>,2|H<1>}	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	117.7140	1.767	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Pt<4>,1|C<2>,1|C<3>,2|H<1>}	118.6540	0.000	1	118.6540	0.000	1	118.6540	0.000	1	117.7140	1.767	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]H)(C[6]C[6]H){1|C<2>,2|P<3>,4|H<1>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	118.0580	5.167	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,4|H<1>}	116.7980	0.000	1	116.7460	0.005	2	116.7460	0.005	2	118.0580	5.167	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|Cu<4>,1|C<2>,1|S<2>,2|H<1>}	116.6940	0.000	1	116.7460	0.005	2	116.7460	0.005	2	118.0580	5.167	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H){1|C<4>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:2:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:N-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	124.9880	0.341	2	124.7073	0.209	4	124.7073	0.209	4	124.7073	0.209	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:2:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:N-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H)	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]S[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	124.4265	0.443	2	124.7073	0.209	4	124.7073	0.209	4	124.7073	0.209	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:2:4:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H)	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3)	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H){1|Nb<6>,2|C<3>}	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3){1|N<3>,1|S<2>,4|O<2>}	C[5,6](N[5,6]C[5,6a]Nb[6])(S[5]C[5,6a])(C[6]C[6]H){1|C<4>,2|C<3>,5|O<2>}	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	122.5190	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:P[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6,6a]H)(H){1|N<3>,3|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>,1|P<2>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])(C[6]C[6]H){1|H<1>,4|C<3>}	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5,6]C[6])(N[5]C[5,6])(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.8210	0.000	1	119.8210	0.000	1	119.1330	0.947	2	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(N[5]N[5,5])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	118.4450	0.000	1	118.4450	0.000	1	119.1330	0.947	2	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.9683	0.330	3	118.9942	0.075	6	119.1287	0.116	8	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.0200	0.275	3	118.9942	0.075	6	119.1287	0.116	8	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.5325	0.025	2	119.5325	0.001	2	119.1287	0.116	8	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:P[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6])(C[6]C[6]H){2|H<1>,3|C<3>}	120.0170	0.000	2	120.0170	0.000	2	120.0170	0.000	2	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Se[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5,5]C[6])(Se[5]C[5,5])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	118.9181	1.519	16	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F)	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(O[5]C[5]){1|N<3>,2|C<4>,2|O<1>}	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){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<3>,1|C<4>,1|N<3>,2|N<2>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|N<2>,5|H<1>}	120.7620	0.629	2	120.7620	0.396	2	120.7620	0.396	2	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6,6a]H)(H){1|Si<5>,1|C<4>,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>,1|O<2>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(O[5]Si[5]){1|O<3>,2|C<3>,2|C<4>,3|H<1>}	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6]H)(S[5]C[5]){3|C<3>,4|H<1>}	118.6065	0.230	2	118.6065	0.053	2	118.6065	0.053	2	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(N[5]O[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.9710	0.000	1	117.9710	0.000	1	117.4805	0.121	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5]){1|Pd<4>,1|Pd<5>,1|C<3>,1|H<1>,2|C<4>}	117.3340	0.000	1	117.3170	0.021	3	117.4805	0.121	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[5,6](C[5,6]N[6]P[5])(C[6]C[6]H)(N[5]C[5]){2|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	117.3085	0.204	2	117.3170	0.021	3	117.4805	0.121	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	116.7490	0.000	1	117.8040	0.858	3	117.8040	0.858	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Pt<4>,1|H<1>,2|C<3>}	118.4830	0.000	1	117.8040	0.858	3	117.8040	0.858	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(S[5]C[5]){1|Re<6>,1|C<3>,1|H<1>,1|S<2>}	118.1800	0.000	1	117.8040	0.858	3	117.8040	0.858	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.8340	0.000	1	118.8340	0.000	1	119.3730	0.357	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|Fe<6>,2|C<3>,2|H<1>}	120.0160	0.000	1	120.0160	0.000	1	119.3730	0.357	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	119.2690	0.000	1	119.2690	0.000	1	119.3730	0.357	3	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.2950	0.000	1	119.1690	0.097	6	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	119.1300	0.000	1	119.1690	0.097	6	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<3>,3|C<4>,3|H<1>}	118.5920	0.000	1	119.1690	0.097	6	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,1|O<3>,2|C<4>,3|H<1>}	119.5150	0.000	1	119.1690	0.097	6	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){2|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	119.2410	0.081	2	119.1690	0.097	6	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5390	0.000	1	118.5895	0.005	2	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.6400	0.000	1	118.5895	0.005	2	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Ir)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]Ir)(H){1|O<2>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|N<3>,5|H<1>}	116.6530	0.000	1	116.6530	0.000	1	118.7607	0.749	9	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:P[5]-2:	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|C<3>,1|O<2>,2|H<1>}	122.2660	0.000	1	122.1072	0.064	4	122.1072	0.064	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:P[5]-2:	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5])	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(P[5]P[5]){1|Mo<6>,1|C<3>,1|O<2>,2|H<1>}	122.0543	0.280	3	122.1072	0.064	4	122.1072	0.064	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]Ge[5]){1|C<3>,2|H<1>}	120.5430	0.000	1	120.5430	0.000	1	121.3110	1.180	2	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[5,6](N[5,6]C[6]O[5])(C[6]C[6]H)(S[5]In[5]){2|Cl<1>,1|C<3>,2|H<1>,2|O<3>}	122.0790	0.000	1	122.0790	0.000	1	121.3110	1.180	2	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(S[5]C[5]){1|O<1>,2|C<3>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]O)(O){1|N<2>,1|S<2>,2|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>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5]){1|O<1>,2|C<3>}	115.9060	0.341	6	115.9060	0.116	6	115.9060	0.116	6	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	116.2567	0.380	4	116.2567	0.145	4	116.2567	0.145	4	118.5494	3.918	44	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|Cl<1>,1|Re<6>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]Cl)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	119.4190	0.000	1	119.4190	0.000	1	119.4190	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.7235	0.199	2	119.3193	0.109	6	119.3193	0.109	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.1040	0.074	3	119.3193	0.109	6	119.3193	0.109	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.1570	0.000	1	119.3193	0.109	6	119.3193	0.109	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	121.4040	0.000	1	120.9460	0.420	2	120.9460	0.420	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5a,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]N[5a,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	120.4880	0.000	1	120.9460	0.420	2	120.9460	0.420	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	119.4070	0.209	4	119.4070	0.044	4	119.6116	0.242	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,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>}	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	120.4300	0.000	1	120.4300	0.000	1	119.6116	0.242	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6,6a]H)(H){1|C<4>,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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.7940	0.190	2	120.7940	0.036	2	120.7940	0.036	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,3|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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]C)(C[6]C[6]H){3|C<3>,4|H<1>}	119.9520	0.000	1	119.9520	0.000	1	119.2853	1.014	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|Se<2>,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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]Se)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	120.0400	0.000	1	120.0400	0.000	1	119.2853	1.014	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|In<5>,1|O<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|H<1>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[6,6a]In[5])(C[5]O[5]O)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.5745	1.009	2	118.5745	1.018	2	119.2853	1.014	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[5,5]-3:C[6]-3:	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5]N[5,6])(C[6]C[6,6a]H)(H){1|N<3>,2|B<4>,2|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>}	C[5,6](N[5,6]C[6,6a]B[5])(N[5,5]N[5,5]B[5])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6,6a]H)(H){1|P<2>,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<3>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5,6])(N[5,6]C[6,6a]P[5])(C[6]C[6]H){1|H<1>,5|C<3>}	118.6750	0.000	1	118.6750	0.000	1	118.6750	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){1|Ir<7>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	118.6680	0.000	1	118.8105	0.041	2	118.8105	0.041	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(H){1|Ir<8>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[5]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	118.9530	0.000	1	118.8105	0.041	2	118.8105	0.041	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	P[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|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|P<3>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,5]N[5,5,6]C[5])(N[5,6]In[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	119.0480	0.000	1	119.0480	0.000	1	120.9973	2.476	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,5]N[5,5]C[5])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	121.6470	1.087	3	121.6470	1.182	3	120.9973	2.476	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<5>,1|S<2>,2|C<3>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,4|B<6>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.6770	0.000	1	119.6770	0.000	1	118.8166	1.399	8	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|Br<1>,2|H<1>,3|C<3>}	119.3840	0.000	1	119.3840	0.000	1	118.8166	1.399	8	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	119.6270	0.000	1	119.6270	0.000	1	118.8166	1.399	8	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Ir<5>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	118.2575	1.508	4	118.2575	2.275	4	118.8166	1.399	8	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,4|N<2>}	118.8150	0.000	1	118.8150	0.000	1	118.8166	1.399	8	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	119.5672	0.760	5	119.5672	0.577	5	119.5672	0.577	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|P<3>,3|H<1>}	118.4600	0.000	1	118.4600	0.000	1	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[5,6](C[5,6]C[6]S[5])(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|H<1>,2|O<1>}	117.6790	0.000	1	117.6790	0.000	1	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Se<4>,1|C<2>,1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[5,6](C[5,6]Se[5,5]C[6])(C[5]N[5]O)(C[6]C[6]H){1|H<1>,1|N<4>,3|C<3>}	119.7440	0.000	1	119.7440	0.000	1	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]B[5])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	118.1095	0.684	2	118.1095	0.468	2	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	118.2868	0.619	6	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	118.0635	0.671	2	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	117.5290	0.328	4	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	118.4113	0.401	6	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<3>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	118.1530	0.102	2	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	117.2035	0.812	2	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	117.8760	0.263	2	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C)(C[6]C[6]H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	117.8273	0.638	4	118.0074	0.345	28	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]C[5])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	117.8555	0.804	2	117.8555	0.646	2	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	118.6388	0.636	4	118.7493	0.274	6	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	118.9705	0.093	2	118.7493	0.274	6	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	116.4705	0.142	2	117.0019	0.184	19	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	117.1599	0.518	8	117.0019	0.184	19	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	116.8230	0.126	3	117.0019	0.184	19	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	117.0403	0.391	4	117.0019	0.184	19	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]O)(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	117.0930	0.198	2	117.0019	0.184	19	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	118.8150	0.000	1	118.8150	0.000	1	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7565	0.327	2	117.4504	0.319	5	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	117.9970	0.000	1	117.4504	0.319	5	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	116.7950	0.000	1	117.4504	0.319	5	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	116.9470	0.000	1	117.4504	0.319	5	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Pt<4>,4|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]H)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	119.2715	0.204	2	119.2715	0.042	2	117.8259	0.679	68	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	116.2280	0.000	1	116.2280	0.000	1	116.5433	0.831	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>}	116.1400	0.000	1	116.1400	0.000	1	116.5433	0.831	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	118.1620	0.000	1	118.1620	0.000	1	116.5433	0.831	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	116.2433	0.708	3	116.2433	0.501	3	116.5433	0.831	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	119.1925	0.302	4	119.2360	0.061	6	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|O<3>,3|C<3>,3|H<1>}	119.3230	0.095	2	119.2360	0.061	6	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	118.5675	0.360	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	118.3505	0.315	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	117.5245	0.090	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|F<1>,3|H<1>}	118.8970	0.165	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,3|C<3>,3|H<1>}	119.0215	0.032	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	118.7520	0.274	2	118.5188	0.298	12	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	118.9670	0.629	2	118.6312	0.458	6	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	119.0705	0.278	2	118.6312	0.458	6	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	117.8560	0.064	2	118.6312	0.458	6	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]P[3x5]C[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|H<1>,4|C<3>}	118.0705	0.500	2	118.0705	0.250	2	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Fe<8>,3|C<3>,3|H<1>}	119.4485	0.077	2	119.2823	0.185	8	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,1|P<3>,2|H<1>,3|C<3>}	118.9540	0.593	2	119.2823	0.185	8	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	119.5885	0.200	2	119.2823	0.185	8	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ga[5]C[6])(C[6]C[6]H){1|O<3>,3|C<3>,3|F<1>,3|H<1>}	119.1380	0.629	2	119.2823	0.185	8	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){3|C<3>,3|H<1>}	118.9755	0.391	2	118.7285	0.178	4	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Ge[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	118.4815	0.371	2	118.7285	0.178	4	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Nb<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Nb[5]C[6])(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>,3|N<2>}	119.0105	0.173	2	119.0105	0.030	2	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.3995	0.046	2	118.7304	0.121	13	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){3|Cl<1>,3|C<3>,3|H<1>}	118.5010	0.580	2	118.7304	0.121	13	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|F<1>,3|H<1>}	118.6070	0.074	2	118.7304	0.121	13	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|Cl<1>,3|C<3>,5|H<1>}	119.1190	0.065	2	118.7304	0.121	13	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]Si[5]C[6])(C[6]C[6]H){2|N<2>,2|N<3>,3|C<3>,3|H<1>}	118.8484	0.310	5	118.7304	0.121	13	118.7973	0.285	53	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.3380	0.000	1	119.3380	0.000	1	122.7338	25.305	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H){2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.7745	1.791	2	120.7745	3.208	2	122.7338	25.305	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H){2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.0480	0.000	1	130.0480	0.000	1	122.7338	25.305	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<3>,1|B<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	118.7740	0.173	2	118.7740	0.030	2	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.4100	0.000	1	119.4100	0.000	1	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.3080	0.000	1	119.3080	0.000	1	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	118.7315	0.438	2	118.7315	0.192	2	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.0001	0.328	7	118.9420	0.119	8	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.5350	0.000	1	118.9420	0.119	8	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	118.5070	0.000	1	118.5070	0.000	1	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.4600	0.000	1	119.4600	0.000	1	118.9520	0.134	16	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]N[5])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.1277	0.294	4	118.1277	0.086	4	118.1163	0.085	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,5]N[5,5]O[5])(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	118.0935	0.402	2	118.0935	0.162	2	118.1163	0.085	6	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]C[5,6]P[3x5])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	118.3735	0.189	2	118.3735	0.036	2	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Cl<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	118.4470	0.675	2	118.2673	0.088	10	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	118.1185	0.213	2	118.2673	0.088	10	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|F<1>,4|C<3>}	118.2190	0.297	2	118.2673	0.088	10	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Br<1>,1|N<3>,2|H<1>,4|C<3>}	118.2845	0.029	2	118.2673	0.088	10	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	118.2675	0.293	2	118.2673	0.088	10	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	119.0660	0.769	2	118.4267	0.527	6	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|Pd<4>,2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	117.8500	0.665	2	118.4267	0.527	6	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	118.3640	0.331	2	118.4267	0.527	6	118.3322	0.209	18	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	120.9375	0.011	2	120.9375	0.000	2	119.2606	1.307	13	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.4070	0.000	1	119.4070	0.000	1	119.2606	1.307	13	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|N<3>}	117.9855	0.322	2	117.9855	0.104	2	119.2606	1.307	13	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[3x5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|O<2>,2|O<3>}	118.4175	0.012	2	118.4175	0.000	2	119.2606	1.307	13	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]In[4,5,5]C[5,6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<3>,3|O<2>}	119.3833	1.016	6	119.3833	1.033	6	119.2606	1.307	13	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H){1|Nb<6>,1|P<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,5]Nb[5,5]C[5,6])(C[5,6]C[6]P[5])(C[6]C[6]H){3|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|N<3>}	118.8213	0.564	6	118.8213	0.318	6	118.9968	0.548	32	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[4,5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	118.9928	0.926	16	118.9928	0.857	16	118.9968	0.548	32	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5,6]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|N<3>,2|O<2>,3|C<3>,3|H<1>}	118.6565	0.394	4	118.6565	0.155	4	118.9968	0.548	32	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){3|C<3>,3|H<1>,4|O<2>}	119.2420	0.448	2	119.2420	0.201	2	118.9968	0.548	32	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,2|N<3>,3|C<3>,3|H<1>}	119.4940	0.200	4	119.4940	0.040	4	118.9968	0.548	32	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|O<3>,2|H<1>}	118.7870	0.000	1	118.7870	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	121.0670	0.000	1	121.0670	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	119.4490	0.173	2	119.7010	0.061	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	119.8390	0.000	1	119.7010	0.061	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,6,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	119.8840	0.007	2	119.7010	0.061	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,6a]C[6])(C[5]N[5,6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	117.5450	0.000	1	117.5450	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	121.9060	0.000	1	119.9263	2.954	3	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	119.0560	0.000	1	119.9263	2.954	3	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Cl<1>,2|H<1>,5|C<3>}	118.8170	0.000	1	119.9263	2.954	3	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	118.6240	0.929	2	118.6240	0.863	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	118.8120	0.000	1	118.9250	0.026	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,3|C<3>}	119.0380	0.000	1	118.9250	0.026	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>,2|H<1>}	120.6270	0.000	1	120.6270	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N)(C[6]C[6]H){3|C<3>,4|H<1>}	119.2040	0.000	1	119.2040	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,1|C<3>,3|H<1>}	118.0560	0.106	2	118.0417	0.006	3	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	118.0130	0.000	1	118.0417	0.006	3	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]Se)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	120.1805	0.136	2	120.1805	0.019	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	119.8045	0.064	2	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	119.7845	0.289	2	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	119.9790	0.000	1	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5320	0.000	1	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	119.7160	0.000	1	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	119.7000	0.000	1	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]N[5])(C[6]C[6]H){1|Ru<9>,1|N<3>,2|H<1>,3|C<3>}	119.3220	0.387	2	119.6749	0.073	10	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,5|C<3>}	118.6920	0.000	1	118.6920	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	119.2517	0.119	3	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<5>,2|C<3>,2|H<1>}	118.8760	0.000	1	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	119.8180	0.115	2	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	119.7730	0.020	2	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	119.3865	0.257	2	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	118.1115	1.039	2	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	119.8120	0.000	1	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Zn<5>,2|C<3>,2|H<1>}	118.4403	0.562	3	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Fe<5>,2|C<3>,2|H<1>}	119.7160	0.000	1	119.1564	0.508	17	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	118.6790	0.000	1	118.5225	0.063	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[6]N[5])(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	118.4703	0.279	3	118.5225	0.063	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]N[5]C)(C[6]C[6]H){1|Zn<4>,1|H<1>,2|C<3>}	118.9590	0.000	1	118.9590	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	119.9195	0.537	2	119.9195	0.288	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>}	119.3780	0.000	1	119.9310	0.274	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|H<1>,3|C<3>}	119.9095	0.400	2	119.9310	0.274	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[6]P[5])(C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	120.5270	0.000	1	119.9310	0.274	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	119.6875	1.139	2	119.6875	1.298	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	118.8065	0.391	2	118.8065	0.153	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	119.0270	0.000	1	119.0270	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	119.6320	0.000	1	119.7562	0.045	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	119.8910	0.000	1	119.7562	0.045	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|O<3>,2|C<3>,2|H<1>,2|N<3>}	119.6200	0.000	1	119.7562	0.045	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	119.8190	0.348	2	119.7562	0.045	5	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	116.9080	0.000	1	116.9080	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(C[5]P[5]H)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	120.7270	0.000	1	120.7270	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	119.0880	0.051	3	119.1132	0.004	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5]O[5]O)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>,2|O<3>}	119.1890	0.000	1	119.1132	0.004	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[4x5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|S<2>}	119.4707	0.637	4	119.4707	0.406	4	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){1|Se<2>,2|Br<1>,1|C<3>,1|N<2>,2|H<1>}	118.9610	0.000	1	119.1172	0.127	6	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Br<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	119.3990	0.000	1	119.1172	0.127	6	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|H<1>}	118.7440	0.000	1	119.1172	0.127	6	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<2>,1|O<3>,1|S<2>,2|H<1>}	119.6800	0.000	1	119.1172	0.127	6	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]C)(C[6]C[6]H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	118.9595	0.156	2	119.1172	0.127	6	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]H)(C[6]C[6]H){3|Cl<1>,1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.8390	0.000	1	118.8390	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.5270	0.000	1	118.5270	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5]C[6])(C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|O<3>,2|C<3>,2|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	118.5750	0.000	1	118.5750	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	120.9330	0.010	2	120.9330	0.000	2	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	120.9300	0.000	1	120.9300	0.000	1	119.3410	0.688	95	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C){2|C<3>,5|H<1>}	118.0530	0.000	1	118.0530	0.000	1	118.0392	0.613	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H)	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|F<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]B[5,6,6]C[6])(C[6]C[6]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	119.3870	0.000	1	119.3870	0.000	1	118.0392	0.613	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	117.6670	0.000	1	117.5853	0.008	3	118.0392	0.613	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.4930	0.000	1	117.5853	0.008	3	118.0392	0.613	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	117.5960	0.000	1	117.5853	0.008	3	118.0392	0.613	5	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>}	118.0390	0.000	2	117.8413	0.117	3	117.8413	0.117	3	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<6>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6]C[6])(N[5,6]C[6]P[5])(C[6]C[6]H){3|C<3>,3|H<1>,4|F<1>}	117.4460	0.000	1	117.8413	0.117	3	117.8413	0.117	3	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	118.7280	0.000	1	118.7280	0.000	1	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Co)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Co)(C[6]C[6]H){1|C<3>,4|H<1>}	118.9040	0.000	1	118.9040	0.000	1	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H){2|C<3>,3|H<1>}	119.4900	0.000	1	118.7350	1.140	2	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Pt)(C[6]C[6]H){2|C<3>,3|H<1>}	117.9800	0.000	1	118.7350	1.140	2	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Ru)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]Ru)(C[6]C[6]H){2|C<3>,3|H<1>}	118.1905	1.914	2	118.1905	3.664	2	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.0370	0.000	1	118.0370	0.000	1	118.5029	0.923	7	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	117.7070	0.000	1	117.9860	0.156	2	117.9860	0.156	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){2|C<3>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	118.2650	0.000	1	117.9860	0.156	2	117.9860	0.156	2	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.6530	0.542	2	117.9945	0.272	4	117.9945	0.272	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[6]P[5])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	118.3360	0.238	2	117.9945	0.272	4	117.9945	0.272	4	118.8202	1.421	376	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br){1|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>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	119.8230	0.000	1	119.8230	0.000	1	119.9333	0.014	3	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	119.9885	0.095	2	119.9885	0.009	2	119.9333	0.014	3	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|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>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5,5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.4800	0.000	1	118.4800	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	119.0450	0.000	1	119.0450	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,3|H<1>}	120.5760	0.000	1	120.5760	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.4292	0.481	4	118.4292	0.231	4	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.5380	0.000	1	119.5380	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H){1|Al<5>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|O<3>,2|C<4>,2|H<1>}	118.0140	0.000	1	118.0140	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	117.3810	0.618	2	117.3810	0.382	2	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	117.2655	0.146	2	117.2655	0.021	2	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	117.9420	0.150	2	117.4052	0.399	4	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	116.8685	0.145	2	117.4052	0.399	4	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]RuH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]RuH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	117.6555	0.192	2	117.6555	0.037	2	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	117.5730	0.000	1	117.5730	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	117.5690	0.000	1	117.5690	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,2|C<3>}	118.3670	0.000	1	118.3670	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.1375	0.292	2	117.1375	0.085	2	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	118.2610	0.000	1	118.2610	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]O)(H)	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	119.5810	0.000	1	119.5810	0.000	1	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	117.6245	0.056	2	117.6245	0.003	2	118.0168	0.808	28	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]H){2|Os<5>,2|H<1>,3|C<3>}	116.8475	0.260	2	116.8475	0.067	2	116.8475	0.067	2	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	118.2840	0.000	1	118.3650	0.013	2	118.3650	0.013	2	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H)	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5,5,6]Ga[5x5]C[5,6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	118.4460	0.000	1	118.3650	0.013	2	118.3650	0.013	2	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[4x3,4x5,12x6]C[6])(C[5]C[3x3,4x5,12x6]HH)(C[6]C[6]H){1|B<5>,1|C<3>,1|H<2>,2|H<1>,4|B<6>}	119.0350	0.000	1	119.0350	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,2|B<3>,2|H<1>,2|O<2>}	119.3690	0.000	1	119.3690	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	118.4195	0.330	4	118.4195	0.109	4	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3180	0.000	1	118.1555	0.053	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[5,6](N[5,6]B[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	117.9930	0.000	1	118.1555	0.053	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|B<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]GaH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	120.0540	0.000	1	120.0540	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[5,6](N[5,6]B[5]C[6])(C[5]P[5]HH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	118.7130	0.000	1	118.7130	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]B[5x3,6x5,20x6]C[6])(C[5]C[5x3,6x5,20x6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,6|B<6>}	119.4410	0.000	1	119.4410	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	119.7830	0.000	1	119.7830	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	118.6750	0.000	1	118.6750	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	116.2780	0.000	1	116.2780	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	118.6030	0.000	1	118.6030	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	119.4050	0.137	2	119.4050	0.019	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[3x5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,3|H<1>}	118.8960	0.123	2	118.8960	0.015	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5,5,6,6]C[6])(C[5]N[5,6]HH)(C[6]C[6]H){1|C<3>,1|S<4>,2|H<1>,2|N<3>,2|O<2>}	118.8235	0.052	2	118.8235	0.003	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	118.5610	0.000	1	118.8840	0.209	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|I<1>,3|C<3>,3|H<1>}	119.2070	0.000	1	118.8840	0.209	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	118.8520	0.000	1	118.8520	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[3x5]C[6])(C[5]N[3x5]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,3|N<3>}	118.8070	0.000	1	118.8070	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	119.1070	0.164	2	119.1070	0.027	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){3|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	119.1660	0.000	1	118.9914	0.208	7	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	118.8380	0.000	1	118.9914	0.208	7	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|Cl<1>,1|S<2>,2|H<1>,3|C<3>}	118.8855	0.289	2	118.9914	0.208	7	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5,5]C[6])(C[5]N[5,5]HH)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	119.0550	0.734	3	118.9914	0.208	7	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5]C[6])(C[5]C[5]N[5]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	119.3035	0.098	2	119.3035	0.010	2	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Si[5]C[6])(C[5]N[5]HH)(C[6]C[6]H){3|Cl<1>,2|C<3>,2|H<1>}	118.6260	0.000	1	118.6260	0.000	1	118.8644	0.396	38	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,1|C<3>,4|H<1>}	121.1140	0.000	1	120.5444	0.204	5	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	120.3420	0.000	1	120.5444	0.204	5	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	120.2110	0.000	1	120.5444	0.204	5	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]Ga[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){1|Fe<11>,2|Si<4>,1|C<3>,2|C<4>,2|H<1>}	120.5275	0.582	2	120.5444	0.204	5	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Cl<1>,2|Si<4>,1|C<3>,2|H<1>}	120.5390	0.000	1	120.2820	0.132	2	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:Si[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5]C[6])(Si[5]C[5]CC)(C[6]C[6]H){2|Si<4>,1|C<3>,2|H<1>,2|I<1>}	120.0250	0.000	1	120.2820	0.132	2	120.4694	0.174	7	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H){1|I<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	117.8360	0.000	1	117.8360	0.000	1	118.9003	0.854	3	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	119.3660	0.000	1	119.4325	0.009	2	118.9003	0.854	3	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	119.4990	0.000	1	119.4325	0.009	2	118.9003	0.854	3	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	117.1135	0.117	2	117.1135	0.014	2	117.1135	0.014	2	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|O<2>,2|C<3>,3|C<4>}	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>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.4750	0.024	2	116.4750	0.001	2	116.6440	0.416	6	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(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[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.6560	0.000	1	116.6560	0.000	1	116.6440	0.416	6	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|C<4>,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]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	115.6030	0.000	1	115.6030	0.000	1	116.6440	0.416	6	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	117.3275	0.067	2	117.3275	0.005	2	116.6440	0.416	6	118.5878	1.410	96	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	3:6:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:P[5]-6:C[6]-3:	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>}	C[5,6](N[5,6]C[5,6]C[6])(P[5]N[5,6]F4)(C[6]C[6]H){2|H<1>,3|C<3>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	118.2090	0.793	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	118.0440	0.887	5	118.0440	0.787	5	118.0440	0.787	5	118.2090	0.793	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	118.9817	0.414	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O)	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[3x6]O[5]O[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.9817	0.414	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	118.9817	0.414	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[4x6]C[5]H)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|O<2>,3|H<1>,6|C<3>}	119.9465	0.084	2	119.9465	0.007	2	119.9465	0.007	2	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,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>,3|C<3>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	P[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,1|O<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|P<4>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	119.9120	0.000	1	119.9120	0.000	1	119.6900	0.046	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	P[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,1|S<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|P<4>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	119.4820	0.000	1	119.4820	0.000	1	119.6900	0.046	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	P[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H)	C[6](C[5,6]P[5,6]C[5])(C[6]C[6,6a]H)(H){1|Se<1>,1|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|P<4>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	119.6760	0.000	1	119.6760	0.000	1	119.6900	0.046	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[4,5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[4,5,6]N[5])(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O)	C[5,6](C[4,5,6]C[6,6a]C[4,5]C[4])(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[4,5,6]N[5])(C[6]C[6,6a]O)(H){3|C<3>,3|C<4>}	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>}	C[5,6](C[4,5,6]C[6,6a]C[4,5]C[4])(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[3,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H){1|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[5,6](C[3,5]C[3,5,5]C[3,5]H)(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]O)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.4740	0.035	2	118.4740	0.001	2	118.3873	0.023	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]N[5,6]H)(H){1|C<4>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	118.2140	0.000	1	118.2140	0.000	1	118.3873	0.023	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]N[6])(C[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	118.2060	0.000	1	118.2060	0.000	1	117.5207	0.364	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	117.0680	0.000	1	117.0680	0.000	1	117.5207	0.364	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5,6])(C[5,6]C[5,6]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,6|C<3>}	117.2880	0.000	1	117.2880	0.000	1	117.5207	0.364	3	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|Ru<11>,1|C<3>,2|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	119.2350	0.000	1	118.8830	0.248	2	118.8830	0.248	2	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	118.5310	0.000	1	118.8830	0.248	2	118.8830	0.248	2	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]Ru)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]C[6]Ru)(C[5]C[5]H)(C[6]C[6]H){1|Ru<5>,1|H<1>,1|P<5>,2|C<3>}	119.2455	0.622	2	119.2455	0.386	2	119.5155	0.231	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.5155	0.231	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	119.8760	0.000	1	119.8760	0.000	1	119.5155	0.231	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	118.9280	0.000	1	118.9280	0.000	1	118.7458	0.021	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Os<6>,1|N<2>,2|C<3>,3|H<1>}	118.7395	0.025	2	118.6850	0.009	3	118.7458	0.021	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5]C[6a]C[5]O)(N[5,6]C[5]C[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,2|C<3>,3|H<1>}	118.5760	0.000	1	118.6850	0.009	3	118.7458	0.021	4	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.3170	0.000	1	119.2370	0.013	2	119.2370	0.013	2	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.1570	0.000	1	119.2370	0.013	2	119.2370	0.013	2	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6]C[5]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,6|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	118.8520	0.809	30	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br){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]Br)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[3,5,6]C[3,5,6]C[6,6a]O[3])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	122.1960	0.000	1	122.1960	0.000	1	122.1960	0.000	1	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]H)(H){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|S<4>,4|H<1>}	119.5230	0.708	8	119.5230	0.501	8	119.5230	0.501	8	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5]C[5,6a]HH)(C[6]C[6]H){1|O<1>,4|C<3>}	122.7550	0.024	2	122.7550	0.001	2	122.7550	0.001	2	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]Os)(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Os<8>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]Os)(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	118.1300	0.000	1	118.1300	0.000	1	119.1330	0.324	7	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	119.1337	0.454	3	119.3002	0.154	6	119.1330	0.324	7	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	119.4667	0.312	3	119.3002	0.154	6	119.1330	0.324	7	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	119.8595	1.994	21	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	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>}	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	117.6527	0.351	3	117.6700	0.074	6	117.6700	0.074	6	118.3707	1.212	9	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	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>}	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	117.6873	0.246	3	117.6700	0.074	6	117.6700	0.074	6	118.3707	1.212	9	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	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>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	120.0560	0.081	2	119.7720	0.245	3	119.7720	0.245	3	118.3707	1.212	9	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	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>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|O<2>,5|C<3>}	119.2040	0.000	1	119.7720	0.245	3	119.7720	0.245	3	118.3707	1.212	9	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O){5|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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	112.0150	0.352	2	112.0150	0.124	2	112.0150	0.124	2	112.0150	0.124	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	117.7250	0.000	1	117.6970	0.002	2	117.6970	0.002	2	117.9345	1.454	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	117.6690	0.000	1	117.6970	0.002	2	117.6970	0.002	2	117.9345	1.454	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-2:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6a]C[6])(H){7|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>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	117.9345	1.454	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH){1|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<3>,4|H<1>}	116.7340	0.000	1	116.7340	0.000	1	116.7340	0.000	1	117.9345	1.454	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5,6,6]N[6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	117.1020	0.000	1	117.1020	0.000	1	117.1020	0.000	1	117.1500	0.027	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:2:	4:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	117.1740	0.223	2	117.1740	0.050	2	117.1740	0.050	2	117.1500	0.027	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[5,6]-3:S[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H){1|B<4>,5|C<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>}	C[5,6](N[5,6]C[5,6a]B[6])(S[5]C[5,6a])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>}	120.8578	0.513	6	120.8578	0.263	6	120.8578	0.263	6	120.8578	0.263	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H){1|Ga<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|I<1>,5|C<3>}	120.2390	0.826	2	120.2390	0.682	2	120.2390	0.682	2	118.6348	4.616	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H){2|C<4>,5|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>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	118.6348	4.616	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	118.6348	4.616	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	118.6348	4.616	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){3|Cl<1>,1|H<1>,1|P<4>,3|C<3>}	122.1930	0.000	1	121.5320	0.874	2	121.5320	0.874	2	119.8743	8.680	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<7>,1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	C[5,6](C[5,6]N[5,5]C[6])(P[5]Nb[5,5]CC)(C[6]C[6]H){4|Cl<1>,1|P<4>,3|C<3>}	120.8710	0.000	1	121.5320	0.874	2	121.5320	0.874	2	119.8743	8.680	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	119.8743	8.680	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.0630	0.000	1	120.9210	0.040	2	120.9210	0.040	2	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	120.7790	0.000	1	120.9210	0.040	2	120.9210	0.040	2	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	120.6275	0.008	2	120.6275	0.000	2	120.5117	0.040	3	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO){3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	120.2800	0.000	1	120.2800	0.000	1	120.5117	0.040	3	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,5,6]C[6])(N[5,6]Ga[5,5]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.7090	0.216	2	119.7090	0.047	2	120.4396	0.460	10	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1135	0.962	2	121.0860	0.333	4	120.4396	0.460	10	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	121.0585	0.262	2	121.0860	0.333	4	120.4396	0.460	10	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.1850	0.110	2	120.1585	0.012	4	120.4396	0.460	10	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5,6]C[6])(N[5,6]In[5]C[6])(C[6]C[6]H){3|Cl<1>,1|C<4>,1|O<3>,2|H<1>,3|C<3>}	120.1320	0.146	2	120.1585	0.012	4	120.4396	0.460	10	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[5,5,6]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)2(CC3)	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)2(CC3){1|N<3>,2|C<3>}	C[5,6](N[5,5,6]Ga[5,5]C[5,6])(C[5,6]N[5,6]C[6])(C[6]C[6]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.1780	2.208	2	120.1780	4.873	2	120.1780	4.873	2	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]S[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.7350	0.000	1	119.7350	0.000	1	119.7350	0.000	1	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	N[5,5]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	120.2121	1.558	20	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<12>,1|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	119.4000	0.000	1	119.8710	0.098	5	119.8710	0.098	5	119.4837	0.526	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<8>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	120.0290	0.000	1	119.8710	0.098	5	119.8710	0.098	5	119.4837	0.526	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<9>,1|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	119.8385	0.030	2	119.8710	0.098	5	119.8710	0.098	5	119.4837	0.526	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	120.2490	0.000	1	119.8710	0.098	5	119.8710	0.098	5	119.4837	0.526	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HO)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	118.5155	0.375	2	118.5155	0.141	2	118.5155	0.141	2	119.4837	0.526	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	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>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	123.0980	0.000	1	123.0980	0.000	1	123.0980	0.000	1	119.7370	22.593	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:3:4:	4:3:3:	C[5,6]-3:C[6]-3:O-1:	C[4,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3)	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[4,6]C[5]O)(C[5]C[5]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	119.7370	22.593	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]OO)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5,5]C[6])(N[5]C[5,5])(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(O){1|C<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,2|O<1>,3|H<1>}	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[4,5]C[6])(C[5]O[5]O)(C[6]C[6]H){3|C<4>,3|H<1>}	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,4|H<1>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	120.4540	1.031	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	120.6850	0.000	1	120.6850	0.000	1	121.0095	0.211	2	120.4540	1.031	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	121.3340	0.000	1	121.3340	0.000	1	121.0095	0.211	2	120.4540	1.031	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	121.3470	5.903	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:2:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){6|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(O){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	123.0650	0.000	1	123.0650	0.000	1	123.0650	0.000	1	121.3470	5.903	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	119.3850	0.000	1	119.3850	0.000	1	119.0003	0.136	3	119.0003	0.136	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	118.9650	0.000	1	118.9650	0.000	1	119.0003	0.136	3	119.0003	0.136	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,1|P<4>}	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,1|P<4>,3|H<1>}	118.6510	0.000	1	118.6510	0.000	1	119.0003	0.136	3	119.0003	0.136	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	120.9863	0.197	3	120.9863	0.039	3	120.9863	0.039	3	120.6114	0.363	8	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	120.9665	0.021	2	120.9665	0.000	2	120.9665	0.000	2	120.6114	0.363	8	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	120.6114	0.363	8	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9525	0.807	2	119.9525	0.651	2	119.9525	0.651	2	120.6114	0.363	8	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	121.0460	0.051	2	121.0460	0.003	2	121.0460	0.003	2	121.2044	0.463	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	121.7330	0.000	1	121.7330	0.000	1	121.7330	0.000	1	121.2044	0.463	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	122.3680	0.000	1	122.3680	0.000	1	121.1515	0.812	4	121.2044	0.463	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	121.2910	0.000	1	121.2910	0.000	1	121.1515	0.812	4	121.2044	0.463	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HO)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.4735	0.131	2	120.4735	0.017	2	121.1515	0.812	4	121.2044	0.463	7	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	N[5]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[5,6](N[5]In[5,5]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]H){1|I<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	122.6457	0.790	4	122.6457	0.624	4	122.6457	0.624	4	122.6457	0.624	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	3:4:4:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	121.8360	0.569	2	121.8360	0.323	2	121.8360	0.323	2	121.8360	0.323	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(C[6]C[5,6]H)(H){1|Fe<10>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]){1|Fe<10>,1|C<3>,2|C<4>,4|H<1>}	121.5203	0.646	3	121.5203	0.417	3	121.5203	0.417	3	119.9522	5.012	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	119.9522	5.012	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[5,6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>}	118.2200	0.000	1	118.2200	0.000	1	118.2200	0.000	1	119.9522	5.012	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O)	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O){1|C<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	119.0156	1.180	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[4,6]C[5])(C[5]C[5]O)(C[6]C[6]H){2|C<4>,6|H<1>}	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	119.0156	1.180	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]H)(H){6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	118.8163	1.409	3	118.8163	1.985	3	118.8163	1.985	3	119.0156	1.180	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[3,5,6,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[3,5,6,6]C[5])(C[5]O[5]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	120.0485	0.288	2	120.0485	0.083	2	120.0485	0.083	2	120.6508	1.692	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]Hf)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]H)(H){1|Hf<12>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]Hf)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	122.5840	0.000	1	122.5840	0.000	1	122.5840	0.000	1	120.6508	1.692	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	120.6508	1.692	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O)	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5])	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6,6]O)(Cl){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]Cl)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[6]C[6]Cl)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	121.7410	0.000	1	121.7410	0.000	1	121.7410	0.000	1	119.4315	10.668	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O)	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,3x6]O[5])(C[6]C[6]O)(H){1|O<2>,5|C<4>}	C[6](C[6]C[3x6]CO)(C[6]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,3x6]C[3x6]2C[5])(C[6]C[6]H)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	119.4315	10.668	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]2O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	119.8292	1.005	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	119.8292	1.005	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]O[5])(C[5]C[5]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	119.7920	0.415	3	119.7920	0.172	3	120.2500	0.954	4	119.8292	1.005	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.6240	0.000	1	121.6240	0.000	1	120.2500	0.954	4	119.8292	1.005	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[5,6]-4:P[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O)	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H){1|O<2>,1|W<6>,2|C<3>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O){1|C<3>,1|C<4>,1|P<4>}	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	122.2740	1.325	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(H){8|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]H)(O){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	122.2740	1.325	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:2:	4:3:3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[5,5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]N)(H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NN[5]){1|C<4>,1|H<1>,2|N<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]H)(N[5]C[5]S){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	120.9735	0.668	2	120.9735	0.447	2	120.9735	0.447	2	120.9735	0.447	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:4:	3:3:2:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:1:	4:3:4:	3:3:3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3)	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6](N[5,6]C[5,6]C[5])(C[5]N[5]H)(C[6]C[6]H){1|Fe<10>,1|Cu<2>,1|C<3>,3|C<4>}	121.3405	0.305	2	121.3405	0.093	2	121.3405	0.093	2	121.3405	0.093	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:2:1:	3:4:3:	C[5,6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC)	C[6](C[6]C[5,6]S)(O[6]C[6])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:2:1:	4:4:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH)	C[6](C[6]C[5,6]O)(O[6]C[6])(O)	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]O)(OH){2|H<1>,4|C<4>}	C[6](C[6]C[5,6]O)(O[6]C[6])(O){2|C<4>,2|H<1>}	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O){1|C<4>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	119.1825	0.231	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	119.1825	0.231	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:2:	3:2:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5,5,6]C[6])(N[5]C[5,6])(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:2:	3:4:3:	C[5,6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:C-2:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	120.3865	0.193	2	120.3865	0.037	2	120.3865	0.037	2	120.3865	0.037	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH)	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>}	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	117.2950	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(O){1|C<3>,1|O<2>,5|C<4>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]C)(C[6]C[6]O){1|O<2>,2|C<4>,2|O<1>}	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	4:3:1:	4:4:3:	C[5,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6,6]O)(OH){1|N<4>,3|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(O){3|H<1>,4|C<4>}	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,4|C<4>,6|H<1>}	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:2:	4:3:3:	4:3:3:	C[5,6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:N-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]H)(C[6]C[6]C){1|N<3>,3|C<4>,4|H<1>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[5,6](C[5,6]C[5,6]C[6])(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	114.3470	0.000	1	114.3470	0.000	1	114.3470	0.000	1	119.7998	9.565	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:2:3:	C[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:O[5]-2:C[6]-3:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO){1|Si<5>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(O[5]Si[5,5])(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.1630	0.603	4	121.1630	0.364	4	121.1630	0.364	4	119.7998	9.565	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|N<2>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,2|C<4>,4|C<3>}	115.1330	0.000	1	115.1330	0.000	1	115.1330	0.000	1	114.9555	0.063	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6a]C[6])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>}	114.7780	0.000	1	114.7780	0.000	1	114.7780	0.000	1	114.9555	0.063	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]In[5,5]C[6])(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<3>,2|H<1>,2|O<2>}	118.2305	0.312	2	118.2305	0.097	2	118.2305	0.097	2	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){2|C<3>,6|H<1>}	114.3440	0.000	1	114.3440	0.000	1	114.3440	0.000	1	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Co)(C[6]C[6]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Co)(C[6]C[6]C){1|C<3>,2|H<1>}	115.0690	0.000	1	115.0690	0.000	1	115.5715	0.505	2	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Mn)(C[6]C[6]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]Mn)(C[6]C[6]C){1|C<3>,2|H<1>}	116.0740	0.000	1	116.0740	0.000	1	115.5715	0.505	2	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Ir)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ir<8>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Ir){1|Ir<8>,1|N<3>,2|H<1>,3|C<3>}	118.4470	0.000	1	118.4470	0.000	1	118.1300	0.140	4	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd){1|Pd<4>,1|H<1>,1|H<2>,1|N<3>,3|C<3>}	118.0243	0.378	3	118.0243	0.143	3	118.1300	0.140	4	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd)	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>}	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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]Pd){1|N<2>,3|C<3>,3|H<1>}	115.1280	0.000	1	115.1280	0.000	1	115.1280	0.000	1	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<3>,6|H<1>}	120.8310	0.000	1	120.8310	0.000	1	120.8310	0.000	1	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,2|O<1>,5|C<3>}	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	117.2489	3.448	12	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:P[5]-4:	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC)	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H){1|Pd<4>,1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(P[5]C[5]PdC){1|C<4>,3|C<3>,4|H<1>}	117.0600	0.000	1	117.0600	0.000	1	117.0600	0.000	1	116.6302	0.735	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]Pt)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)	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>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]Pt)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	116.5442	0.929	5	116.5442	0.863	5	116.5442	0.863	5	116.6302	0.735	6	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5,5]C)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.8700	0.602	2	114.8700	0.363	2	115.0913	0.328	3	115.3843	0.562	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C[5,6](C[5,3x6]C[5,6,6]C[4x6]O)(C[5]C[5]C)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	115.5340	0.000	1	115.5340	0.000	1	115.0913	0.328	3	115.3843	0.562	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	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>}	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>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	115.3843	0.562	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|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>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,2|F<1>,5|C<3>}	117.4077	0.615	3	117.4732	0.323	5	117.4732	0.323	5	117.4732	0.323	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|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>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|O<2>,7|C<3>}	117.5715	0.711	2	117.4732	0.323	5	117.4732	0.323	5	117.4732	0.323	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[5,6,6]-3:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN)	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN){5|C<3>}	C[5,6](C[5,6,6]C[5,6]N[6,6])(C[6]C[6a]C[6])(C[5]N[5]O){1|C<2>,1|N<2>,5|C<3>}	115.1780	0.234	3	115.1780	0.055	3	115.1780	0.055	3	115.1780	0.055	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a])	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	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>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[6a]C[6])(S[5]C[5,6a]){1|N<3>,2|F<1>,5|C<3>}	118.1520	0.867	2	118.1520	0.752	2	118.1520	0.752	2	118.1520	0.752	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[5]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H)	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>}	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>}	C[5,6](N[5,6]C[6,6a]N[5])(C[6]C[6a]C[6])(C[5]C[5]H){1|Rh<8>,1|H<1>,5|C<3>}	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	117.8440	0.000	1	117.8440	0.000	1	117.9000	0.006	2	117.9000	0.006	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH){1|S<4>,4|C<3>,4|H<1>}	117.9560	0.000	1	117.9560	0.000	1	117.9000	0.006	2	117.9000	0.006	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C)	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>}	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>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	117.9450	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-4:	C[5,6]-3:S[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	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>}	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:3:4:	4:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	116.5440	0.127	2	116.5440	0.016	2	116.5440	0.016	2	116.5440	0.016	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	3:3:2:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|C<4>,5|H<1>}	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	4:2:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[5,5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C){1|H<1>,2|O<1>,7|C<4>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	4:3:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	116.9582	7.741	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	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>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	116.9582	7.741	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C)	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>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	114.7690	1.683	2	114.7690	2.832	2	114.7690	2.832	2	116.9582	7.741	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:1:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	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>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	3:4:3:	3:4:3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:3:	4:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	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>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H){2|C<4>,6|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3){1|C<4>,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>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	115.9300	0.085	2	115.9300	0.007	2	115.9300	0.007	2	115.6100	0.311	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.9700	0.000	1	114.9700	0.000	1	114.9700	0.000	1	115.6100	0.311	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	118.6950	0.000	1	118.6950	0.000	1	118.3655	0.217	2	117.1484	1.332	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	118.0360	0.000	1	118.0360	0.000	1	118.3655	0.217	2	117.1484	1.332	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Co<4>,1|C<3>,5|H<1>}	116.2880	0.400	2	116.3370	0.087	3	116.3370	0.087	3	117.1484	1.332	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|C<4>}	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]C){1|Ir<8>,1|C<3>,5|H<1>}	116.4350	0.000	1	116.3370	0.087	3	116.3370	0.087	3	117.1484	1.332	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	3:5:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-5:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH){1|Al<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<5>,1|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[6]C){3|C<3>,3|H<1>}	117.9740	0.000	1	117.9740	0.000	1	117.9740	0.000	1	117.9740	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:2:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.7850	0.000	1	115.7850	0.000	1	115.8410	0.129	3	115.8410	0.129	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:2:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.8690	0.503	2	115.8690	0.253	2	115.8410	0.129	3	115.8410	0.129	3	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	112.9220	0.000	1	112.9220	0.000	1	114.4555	4.703	2	114.4555	4.703	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	115.9890	0.000	1	115.9890	0.000	1	114.4555	4.703	2	114.4555	4.703	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	117.8920	0.299	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[5,6](C[5,5]C[5,5]C[5]Fe)(N[5,6]B[5]C[6])(C[6]C[6]C)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3){1|Fe<10>,1|B<4>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,5]C[5,5]C[5]Fe)(N[5,6]B[5]C[6])(C[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	117.3315	0.193	2	117.3315	0.037	2	117.3315	0.037	2	117.8920	0.299	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	117.8920	0.299	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:1:	4:3:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|H<1>,2|O<1>,6|C<3>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	117.8920	0.299	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6]-3:Si-4:	B[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3)	C[6](B[6]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]2)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]B[6])(SiC3){1|H<1>,3|C<4>,4|C<3>}	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>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	117.1340	0.235	2	117.1340	0.055	2	117.1340	0.055	2	117.1340	0.055	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:3:4:	3:4:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:P[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	C[5,6](C[5,6]C[5]P[6])(P[5]C[5]CS)(C[6]C[6]C)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	C[5,6](C[5,6]C[5]P[6])(P[5]C[5]CS)(C[6]C[6]C){1|C<3>,3|C<4>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	3:4:1:	4:2:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|O<1>,3|H<1>,4|C<4>}	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:2:3:	C[5,6]-3:C[6]-3:C-4:	C[4,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-2:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	117.8282	0.380	4	117.8282	0.144	4	117.8282	0.144	4	117.8282	0.144	4	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[3x5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6]C[3x5,6]C[5,5]O[5])(C[6]C[6]C)(O[5]C[5]){1|H<1>,1|O<1>,7|C<4>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	117.6034	0.069	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	117.5800	0.000	1	117.6490	0.010	2	117.7113	0.014	4	117.6034	0.069	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	117.7180	0.000	1	117.6490	0.010	2	117.7113	0.014	4	117.6034	0.069	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	117.7735	0.134	2	117.7735	0.018	2	117.7113	0.014	4	117.6034	0.069	5	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:4:3:	C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	116.4460	0.000	1	116.4460	0.000	1	116.4460	0.000	1	117.9120	4.298	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:4:	4:3:1:	4:4:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O){1|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	117.9120	4.298	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:4:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	115.7240	0.000	1	115.4810	0.118	2	115.4810	0.118	2	115.4810	0.118	2	118.8204	2.749	836	118.8664	2.977	877
762	762	818	6:SP2_SP2_SP2	C[6]	C[6]	C[5,6]	3:4:3:	3:3:2:	3:3:3:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	115.2380	0.000	1	115.4810	0.118	2	115.4810	0.118	2	115.4810	0.118	2	118.8204	2.749	836	118.8664	2.977	877